# generated using pymatgen data_ZnCr2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62815100 _cell_length_b 6.47563300 _cell_length_c 13.99067100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr2S5 _chemical_formula_sum 'Zn2 Cr4 S10' _cell_volume 328.70485994 _cell_formula_units_Z 2 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 Zn Zn0 1 0.50000000 0.08898700 0.00000000 1.0 Zn Zn1 1 0.00000000 0.91101300 0.50000000 1.0 Cr Cr2 1 0.00000000 0.50988100 0.85034100 1.0 Cr Cr3 1 0.50000000 0.49011900 0.64965900 1.0 Cr Cr4 1 0.50000000 0.49011900 0.35034100 1.0 Cr Cr5 1 0.00000000 0.50988100 0.14965900 1.0 S S6 1 0.00000000 0.82971200 0.07636100 1.0 S S7 1 0.50000000 0.17028800 0.42363900 1.0 S S8 1 0.50000000 0.17028800 0.57636100 1.0 S S9 1 0.00000000 0.82971200 0.92363900 1.0 S S10 1 0.50000000 0.67276000 0.50000000 1.0 S S11 1 0.00000000 0.32724000 0.00000000 1.0 S S12 1 0.50000000 0.31487700 0.79598200 1.0 S S13 1 0.00000000 0.68512300 0.70401800 1.0 S S14 1 0.50000000 0.31487700 0.20401800 1.0 S S15 1 0.00000000 0.68512300 0.29598200 1.0