# generated using pymatgen data_CaCe3As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54523288 _cell_length_b 4.27398625 _cell_length_c 6.01457866 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99996104 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCe3As4 _chemical_formula_sum 'Ca1 Ce3 As4' _cell_volume 219.66569183 _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 0.37503606 0.24999900 0.24992668 1.0 Ce Ce1 1 0.87496804 0.24999900 0.25003773 1.0 Ce Ce2 1 0.13008709 0.75000100 0.74997240 1.0 Ce Ce3 1 0.61986122 0.75000100 0.75008003 1.0 As As4 1 0.11575559 0.75000100 0.24994418 1.0 As As5 1 0.63433951 0.75000100 0.25009121 1.0 As As6 1 0.37497017 0.24999900 0.74987666 1.0 As As7 1 0.87498632 0.24999900 0.75007510 1.0