# generated using pymatgen data_Ac2Cu3NiP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03525261 _cell_length_b 8.86009695 _cell_length_c 10.17883041 _cell_angle_alpha 90.04094032 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac2Cu3NiP4 _chemical_formula_sum 'Ac4 Cu6 Ni2 P8' _cell_volume 363.92087595 _cell_formula_units_Z 2 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 Ac Ac0 1 0.25000000 0.25811808 0.67040014 1.0 Ac Ac1 1 0.75000000 0.74188192 0.32959986 1.0 Ac Ac2 1 0.25000000 0.76550841 0.82880341 1.0 Ac Ac3 1 0.75000000 0.23449159 0.17119659 1.0 Cu Cu4 1 0.75000000 0.09105191 0.45482591 1.0 Cu Cu5 1 0.25000000 0.90894809 0.54517409 1.0 Cu Cu6 1 0.75000000 0.58024518 0.04785357 1.0 Cu Cu7 1 0.25000000 0.41975482 0.95214643 1.0 Cu Cu8 1 0.25000000 0.94595744 0.12134332 1.0 Cu Cu9 1 0.75000000 0.05404256 0.87865668 1.0 Ni Ni10 1 0.25000000 0.45822128 0.37996411 1.0 Ni Ni11 1 0.75000000 0.54177872 0.62003589 1.0 P P12 1 0.25000000 0.15112743 0.95400374 1.0 P P13 1 0.75000000 0.84887257 0.04599626 1.0 P P14 1 0.25000000 0.62632229 0.54905883 1.0 P P15 1 0.75000000 0.37367771 0.45094117 1.0 P P16 1 0.25000000 0.51855473 0.16758452 1.0 P P17 1 0.75000000 0.48144527 0.83241548 1.0 P P18 1 0.25000000 0.02745497 0.33986106 1.0 P P19 1 0.75000000 0.97254503 0.66013894 1.0