# generated using pymatgen data_CaBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97205906 _cell_length_b 4.97205906 _cell_length_c 4.97205906 _cell_angle_alpha 90.03545479 _cell_angle_beta 90.03545479 _cell_angle_gamma 90.03545479 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBi3 _chemical_formula_sum 'Ca1 Bi3' _cell_volume 122.91604721 _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 Ca Ca0 1 0.99999756 0.99999756 0.99999756 1.0 Bi Bi1 1 0.00000888 0.49999578 0.49999578 1.0 Bi Bi2 1 0.49999578 0.00000888 0.49999578 1.0 Bi Bi3 1 0.49999578 0.49999578 0.00000888 1.0