# generated using pymatgen data_Pr2CuAs3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 35.50761970 _cell_length_b 4.00467796 _cell_length_c 4.07425968 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99865107 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2CuAs3O _chemical_formula_sum 'Pr8 Cu4 As12 O4' _cell_volume 579.34580111 _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 Pr Pr0 1 0.46588591 0.75000200 0.24973249 1.0 Pr Pr1 1 0.03412396 0.25000200 0.74974769 1.0 Pr Pr2 1 0.96597915 0.75000200 0.25021464 1.0 Pr Pr3 1 0.53402266 0.25000200 0.75022041 1.0 Pr Pr4 1 0.32322127 0.25000200 0.80881019 1.0 Pr Pr5 1 0.17675905 0.75000200 0.30921122 1.0 Pr Pr6 1 0.82329552 0.25000200 0.69073067 1.0 Pr Pr7 1 0.67671405 0.75000200 0.19115384 1.0 Cu Cu8 1 0.24997877 0.25000200 0.30781218 1.0 Cu Cu9 1 0.24998834 0.75000200 0.80753721 1.0 Cu Cu10 1 0.75000193 0.25000200 0.19244709 1.0 Cu Cu11 1 0.75002041 0.75000200 0.69220495 1.0 As As12 1 0.39215198 0.25000200 0.33902615 1.0 As As13 1 0.10784932 0.75000200 0.83911376 1.0 As As14 1 0.89219265 0.25000200 0.16093215 1.0 As As15 1 0.60780598 0.75000200 0.66108462 1.0 As As16 1 0.39398982 0.75000200 0.73918161 1.0 As As17 1 0.10602996 0.25000200 0.23949652 1.0 As As18 1 0.89407042 0.75000200 0.76056806 1.0 As As19 1 0.60590575 0.25000200 0.26089425 1.0 As As20 1 0.20804741 0.25000200 0.80959537 1.0 As As21 1 0.29192286 0.75000200 0.30914995 1.0 As As22 1 0.70804095 0.25000200 0.69087025 1.0 As As23 1 0.79197789 0.75000200 0.19033140 1.0 O O24 1 0.49961368 0.75000200 0.75030424 1.0 O O25 1 0.00040272 0.25000200 0.25033140 1.0 O O26 1 0.99973091 0.75000200 0.74964225 1.0 O O27 1 0.50027670 0.25000200 0.24965645 1.0