# generated using pymatgen data_Nd2Ni7P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74115141 _cell_length_b 9.18508611 _cell_length_c 10.38834053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Ni7P4 _chemical_formula_sum 'Nd4 Ni14 P8' _cell_volume 356.97244564 _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 Nd Nd0 1 0.50000000 0.43683395 0.49981360 1.0 Nd Nd1 1 0.50000000 0.06068880 0.28314937 1.0 Nd Nd2 1 0.00000000 0.93931120 0.78314937 1.0 Nd Nd3 1 0.00000000 0.56316605 -0.00018640 1.0 Ni Ni4 1 0.50000000 0.30520769 0.07429100 1.0 Ni Ni5 1 0.50000000 0.74574305 0.40223746 1.0 Ni Ni6 1 0.50000000 0.41766140 0.80412134 1.0 Ni Ni7 1 0.50000000 0.06190229 0.97901581 1.0 Ni Ni8 1 0.50000000 0.68227862 0.76039172 1.0 Ni Ni9 1 0.00000000 0.27569822 0.67190767 1.0 Ni Ni10 1 -0.00000000 0.25425695 0.90223746 1.0 Ni Ni11 1 0.00000000 0.69479231 0.57429100 1.0 Ni Ni12 1 0.50000000 0.09570081 0.58604313 1.0 Ni Ni13 1 -0.00000000 0.31772138 0.26039172 1.0 Ni Ni14 1 -0.00000000 0.58233860 0.30412134 1.0 Ni Ni15 1 0.00000000 0.90429919 0.08604313 1.0 Ni Ni16 1 -0.00000000 0.93809771 0.47901581 1.0 Ni Ni17 1 0.50000000 0.72430178 0.17190767 1.0 P P18 1 -0.00000000 0.81528829 0.28814069 1.0 P P19 1 0.00000000 0.18405175 0.47277173 1.0 P P20 1 0.50000000 0.18471171 0.78814069 1.0 P P21 1 0.00000000 0.15764374 0.08874909 1.0 P P22 1 0.50000000 0.47605038 0.21706638 1.0 P P23 1 0.50000000 0.81594825 0.97277173 1.0 P P24 1 0.50000000 0.84235626 0.58874909 1.0 P P25 1 -0.00000000 0.52394962 0.71706638 1.0