# generated using pymatgen data_CrInBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.15506100 _cell_length_b 4.29588500 _cell_length_c 9.53244597 _cell_angle_alpha 83.86088559 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrInBr3 _chemical_formula_sum 'Cr4 In4 Br12' _cell_volume 617.04510777 _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 0.95153400 0.23125200 0.34023500 1.0 Cr Cr1 1 0.45153400 0.76874800 0.15976500 1.0 Cr Cr2 1 0.04846600 0.76874800 0.65976500 1.0 Cr Cr3 1 0.54846600 0.23125200 0.84023500 1.0 In In4 1 0.66504400 0.75708600 0.46501900 1.0 In In5 1 0.16504400 0.24291400 0.03498100 1.0 In In6 1 0.33495600 0.24291400 0.53498100 1.0 In In7 1 0.83495600 0.75708600 0.96501900 1.0 Br Br8 1 0.69819000 0.25220200 0.72604200 1.0 Br Br9 1 0.19819000 0.74779800 0.77395800 1.0 Br Br10 1 0.30181000 0.74779800 0.27395800 1.0 Br Br11 1 0.80181000 0.25220200 0.22604200 1.0 Br Br12 1 0.40070200 0.19992600 0.97071900 1.0 Br Br13 1 0.90070200 0.80007400 0.52928100 1.0 Br Br14 1 0.59929800 0.80007400 0.02928100 1.0 Br Br15 1 0.09929800 0.19992600 0.47071900 1.0 Br Br16 1 0.49252200 0.69246400 0.67408200 1.0 Br Br17 1 0.99252200 0.30753600 0.82591800 1.0 Br Br18 1 0.50747800 0.30753600 0.32591800 1.0 Br Br19 1 0.00747800 0.69246400 0.17408200 1.0