# generated using pymatgen data_CsMnIrS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06153597 _cell_length_b 7.07298441 _cell_length_c 16.37816445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMnIrS4 _chemical_formula_sum 'Cs4 Mn4 Ir4 S16' _cell_volume 702.18349103 _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 Cs Cs0 1 0.37342545 0.00000000 0.00000000 1.0 Cs Cs1 1 0.62657455 0.50000000 0.50000000 1.0 Cs Cs2 1 0.02618722 0.00000000 0.50000000 1.0 Cs Cs3 1 0.97381278 0.50000000 0.00000000 1.0 Mn Mn4 1 0.00446821 0.00000000 0.25049805 1.0 Mn Mn5 1 0.00446821 0.00000000 0.74950195 1.0 Mn Mn6 1 0.99553179 0.50000000 0.24950195 1.0 Mn Mn7 1 0.99553179 0.50000000 0.75049805 1.0 Ir Ir8 1 0.50000000 0.25000000 0.25000000 1.0 Ir Ir9 1 0.50000000 0.75000000 0.75000000 1.0 Ir Ir10 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir11 1 0.50000000 0.25000000 0.75000000 1.0 S S12 1 0.83510115 0.25057948 0.32667860 1.0 S S13 1 0.83510115 0.74942052 0.67332140 1.0 S S14 1 0.16489885 0.75057948 0.17332140 1.0 S S15 1 0.16489885 0.24942052 0.82667860 1.0 S S16 1 0.16489885 0.24942052 0.17332140 1.0 S S17 1 0.16489885 0.75057948 0.82667860 1.0 S S18 1 0.83510115 0.74942052 0.32667860 1.0 S S19 1 0.83510115 0.25057948 0.67332140 1.0 S S20 1 0.67208397 0.00000000 0.17520929 1.0 S S21 1 0.67208397 0.00000000 0.82479071 1.0 S S22 1 0.32791603 0.50000000 0.32479071 1.0 S S23 1 0.32791603 0.50000000 0.67520929 1.0 S S24 1 0.33916473 0.00000000 0.32693588 1.0 S S25 1 0.33916473 0.00000000 0.67306412 1.0 S S26 1 0.66083527 0.50000000 0.17306412 1.0 S S27 1 0.66083527 0.50000000 0.82693588 1.0