'Topas .str file generated by ISODISTORT
'Remember to add the appropriate peak shape line when passing this into an input file

	str
		'P4/ncc:2 
		space_group 130 'transformPp a,b,c;0,0,0
		a     5.31744
		b     5.31744
		c     7.52000
		al   90.00000
		be   90.00000
		ga   90.00000
		scale @ 0.00001

'{{{mode definitions
		prm  !a1       0.00000 min  -2.00 max  2.00 'Pm-3m[1/2,1/2,0]M3-(a;0;0)[W:a:dsp] T1u(a)
		prm  !a2       0.00000 min  -2.00 max  2.00 'Pm-3m[1/2,1/2,0]M3-(a;0;0)[O:d:dsp] A2u(a)
		prm  !a3       0.00000 min  -2.83 max  2.83 'Pm-3m[1/2,1/2,1/2]R4+(a,0,0)[O:d:dsp] Eu(a)

'}}}

'{{{mode-amplitude to delta transformation
		prm  W_1_dz   = +  0.06649*a1;:  0.00000
		prm  O_1_dx   = +  0.04702*a3;:  0.00000
		prm  O_2_dz   = +  0.06649*a2;:  0.00000

'}}}

'{{{distorted parameters
		prm !W_1_x    = 1/4;:  0.25000
		prm !W_1_y    = 1/4;:  0.25000
		prm  W_1_z    = 3/4 + W_1_dz;:  0.75000
		prm  O_1_x    = 1/2 + O_1_dx;:  0.50000
		prm  O_1_y    = 1/2 - O_1_dx;:  0.50000
		prm !O_1_z    = 1/4;:  0.25000
		prm !O_2_x    = 1/4;:  0.25000
		prm !O_2_y    = 1/4;:  0.25000
		prm  O_2_z    = 0 + O_2_dz;:  0.00000

		prm !W_1_occ  = 1;:  1.00000
		prm !O_1_occ  = 1;:  1.00000
		prm !O_2_occ  = 1;:  1.00000
'}}}

'{{{mode-dependent sites
		site W_1    num_posns  0  x = W_1_x;:0    y = W_1_y;:0    z = W_1_z;:0    occ W      = W_1_occ;:0 beq 0.0
		site O_1    num_posns  0  x = O_1_x;:0    y = O_1_y;:0    z = O_1_z;:0    occ O      = O_1_occ;:0 beq 0.0
		site O_2    num_posns  0  x = O_2_x;:0    y = O_2_y;:0    z = O_2_z;:0    occ O      = O_2_occ;:0 beq 0.0

		site origin num_posns  0  x  0.00000    y  0.00000    z  0.00000    occ D  0
'}}}

'{{{difference restraints for interconnected rigid bodies
'}}}