# generated using pymatgen data_CsCrI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82585800 _cell_length_b 11.01918300 _cell_length_c 16.49456700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCrI3 _chemical_formula_sum 'Cs4 Cr4 I12' _cell_volume 1240.64509901 _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 0.25000000 0.50000000 0.87466400 1.0 Cs Cs1 1 0.25000000 0.00000000 0.37466400 1.0 Cs Cs2 1 0.75000000 0.50000000 0.12533600 1.0 Cs Cs3 1 0.75000000 0.00000000 0.62533600 1.0 Cr Cr4 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr5 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr6 1 0.00000000 0.50000000 0.50000000 1.0 Cr Cr7 1 0.50000000 0.50000000 0.50000000 1.0 I I8 1 0.25111400 0.65766800 0.08964600 1.0 I I9 1 0.75000000 0.50000000 0.37599900 1.0 I I10 1 0.75111400 0.84233200 0.41035400 1.0 I I11 1 0.74888600 0.15766800 0.41035400 1.0 I I12 1 0.25111400 0.84233200 0.58964600 1.0 I I13 1 0.74888600 0.34233200 0.91035400 1.0 I I14 1 0.75111400 0.65766800 0.91035400 1.0 I I15 1 0.25000000 0.00000000 0.12400100 1.0 I I16 1 0.25000000 0.50000000 0.62400100 1.0 I I17 1 0.24888600 0.34233200 0.08964600 1.0 I I18 1 0.75000000 0.00000000 0.87599900 1.0 I I19 1 0.24888600 0.15766800 0.58964600 1.0