# generated using pymatgen data_MnCr8Cu3S16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00838000 _cell_length_b 7.00838000 _cell_length_c 9.91132600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr8Cu3S16 _chemical_formula_sum 'Mn1 Cr8 Cu3 S16' _cell_volume 486.81846678 _cell_formula_units_Z 1 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 Mn Mn0 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr1 1 0.75616800 0.00000000 0.62538600 1.0 Cr Cr2 1 0.25005700 0.50000000 0.12127900 1.0 Cr Cr3 1 0.24383200 0.00000000 0.62538600 1.0 Cr Cr4 1 0.74994300 0.50000000 0.12127900 1.0 Cr Cr5 1 0.00000000 0.24383200 0.37461400 1.0 Cr Cr6 1 0.50000000 0.74994300 0.87872100 1.0 Cr Cr7 1 0.50000000 0.25005700 0.87872100 1.0 Cr Cr8 1 0.00000000 0.75616800 0.37461400 1.0 Cu Cu9 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu10 1 0.50000000 0.00000000 0.24976400 1.0 Cu Cu11 1 0.00000000 0.50000000 0.75023600 1.0 S S12 1 0.76894700 0.50000000 0.36501500 1.0 S S13 1 0.26609500 0.00000000 0.86668700 1.0 S S14 1 0.23105300 0.50000000 0.36501500 1.0 S S15 1 0.73390500 0.00000000 0.86668700 1.0 S S16 1 0.50000000 0.23105300 0.63498500 1.0 S S17 1 0.00000000 0.73390500 0.13331300 1.0 S S18 1 0.50000000 0.76894700 0.63498500 1.0 S S19 1 0.00000000 0.26609500 0.13331300 1.0 S S20 1 0.23404200 0.00000000 0.38299600 1.0 S S21 1 0.73440300 0.50000000 0.88330300 1.0 S S22 1 0.76595800 0.00000000 0.38299600 1.0 S S23 1 0.26559700 0.50000000 0.88330300 1.0 S S24 1 0.50000000 0.26559700 0.11669700 1.0 S S25 1 0.00000000 0.76595800 0.61700400 1.0 S S26 1 0.50000000 0.73440300 0.11669700 1.0 S S27 1 0.00000000 0.23404200 0.61700400 1.0