# generated using pymatgen data_BaCrCuAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10199526 _cell_length_b 7.10199531 _cell_length_c 7.10199466 _cell_angle_alpha 146.10094877 _cell_angle_beta 146.10096192 _cell_angle_gamma 48.69683712 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrCuAs2 _chemical_formula_sum 'Ba1 Cr1 Cu1 As2' _cell_volume 110.94546660 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr1 1 0.25000000 0.75000000 0.50000000 1.0 Cu Cu2 1 0.75000000 0.25000000 0.50000000 1.0 As As3 1 0.35491199 0.35491199 0.00000000 1.0 As As4 1 0.64508801 0.64508801 1.00000000 1.0