# generated using pymatgen data_Nd2Ni12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.09636900 _cell_length_b 3.73033100 _cell_length_c 9.09867124 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.92455499 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Ni12P7 _chemical_formula_sum 'Nd2 Ni12 P7' _cell_volume 267.58003557 _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 Nd Nd0 1 0.66673800 0.00000000 0.33333500 1.0 Nd Nd1 1 0.33348600 0.50000000 0.66660100 1.0 Ni Ni2 1 0.37580300 0.00000000 0.43437200 1.0 Ni Ni3 1 0.05871300 0.00000000 0.62459700 1.0 Ni Ni4 1 0.56580600 0.00000000 0.94138300 1.0 Ni Ni5 1 0.87522000 0.00000000 0.14727100 1.0 Ni Ni6 1 0.27197700 0.00000000 0.12466700 1.0 Ni Ni7 1 0.85254100 0.00000000 0.72796700 1.0 Ni Ni8 1 0.95184400 0.50000000 0.37801900 1.0 Ni Ni9 1 0.42589300 0.50000000 0.04824700 1.0 Ni Ni10 1 0.62198300 0.50000000 0.57373900 1.0 Ni Ni11 1 0.11871600 0.50000000 0.21341300 1.0 Ni Ni12 1 0.09466400 0.50000000 0.88130300 1.0 Ni Ni13 1 0.78665000 0.50000000 0.90512400 1.0 P P14 1 0.10787600 0.00000000 0.40143000 1.0 P P15 1 0.29355800 0.00000000 0.89193100 1.0 P P16 1 0.59842300 0.00000000 0.70656300 1.0 P P17 1 0.70267900 0.50000000 0.10305600 1.0 P P18 1 0.40037500 0.50000000 0.29745900 1.0 P P19 1 0.89707200 0.50000000 0.59965100 1.0 P P20 1 0.99998300 0.00000000 0.99987100 1.0