# generated using pymatgen data_Cr2HgS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07970000 _cell_length_b 6.97198400 _cell_length_c 13.42238600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2HgS4 _chemical_formula_sum 'Cr8 Hg4 S16' _cell_volume 568.94234124 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.99857300 0.00000000 0.24402000 1.0 Cr Cr1 1 0.99857300 0.00000000 0.75598000 1.0 Cr Cr2 1 0.00142700 0.50000000 0.25598000 1.0 Cr Cr3 1 0.00142700 0.50000000 0.74402000 1.0 Cr Cr4 1 0.50000000 0.25000000 0.25000000 1.0 Cr Cr5 1 0.50000000 0.75000000 0.75000000 1.0 Cr Cr6 1 0.50000000 0.75000000 0.25000000 1.0 Cr Cr7 1 0.50000000 0.25000000 0.75000000 1.0 Hg Hg8 1 0.37827200 0.00000000 0.00000000 1.0 Hg Hg9 1 0.62172800 0.50000000 0.50000000 1.0 Hg Hg10 1 0.05049300 0.00000000 0.50000000 1.0 Hg Hg11 1 0.94950700 0.50000000 0.00000000 1.0 S S12 1 0.83243300 0.25185900 0.35007100 1.0 S S13 1 0.83243300 0.74814100 0.64992900 1.0 S S14 1 0.16756700 0.75185900 0.14992900 1.0 S S15 1 0.16756700 0.24814100 0.85007100 1.0 S S16 1 0.16756700 0.24814100 0.14992900 1.0 S S17 1 0.16756700 0.75185900 0.85007100 1.0 S S18 1 0.83243300 0.74814100 0.35007100 1.0 S S19 1 0.83243300 0.25185900 0.64992900 1.0 S S20 1 0.65591300 0.00000000 0.15369800 1.0 S S21 1 0.65591300 0.00000000 0.84630200 1.0 S S22 1 0.34408700 0.50000000 0.34630200 1.0 S S23 1 0.34408700 0.50000000 0.65369800 1.0 S S24 1 0.32667300 0.00000000 0.34391200 1.0 S S25 1 0.32667300 0.00000000 0.65608800 1.0 S S26 1 0.67332700 0.50000000 0.15608800 1.0 S S27 1 0.67332700 0.50000000 0.84391200 1.0