# generated using pymatgen data_Nd3PCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98664888 _cell_length_b 9.98664850 _cell_length_c 9.98664883 _cell_angle_alpha 109.47122131 _cell_angle_beta 109.47122054 _cell_angle_gamma 109.47121867 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3PCl3 _chemical_formula_sum 'Nd12 P4 Cl12' _cell_volume 766.72114452 _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 Nd Nd0 1 0.48089253 0.49044726 0.24044726 1.0 Nd Nd1 1 0.75000000 0.24044726 0.25955274 1.0 Nd Nd2 1 0.75000000 0.00955274 0.49044726 1.0 Nd Nd3 1 0.24044726 0.48089253 0.49044726 1.0 Nd Nd4 1 0.25955274 0.75000000 0.24044726 1.0 Nd Nd5 1 0.01910747 0.25955274 0.00955274 1.0 Nd Nd6 1 0.00955274 0.01910747 0.25955274 1.0 Nd Nd7 1 0.49044726 0.75000000 0.00955274 1.0 Nd Nd8 1 0.49044726 0.24044726 0.48089253 1.0 Nd Nd9 1 0.00955274 0.49044726 0.75000000 1.0 Nd Nd10 1 0.25955274 0.00955274 0.01910747 1.0 Nd Nd11 1 0.24044726 0.25955274 0.75000000 1.0 P P12 1 0.25000000 0.25000000 0.25000000 1.0 P P13 1 0.50000000 0.00000000 0.25000000 1.0 P P14 1 0.00000000 0.25000000 0.50000000 1.0 P P15 1 0.25000000 0.50000000 0.00000000 1.0 Cl Cl16 1 0.25000000 0.75353394 0.74646606 1.0 Cl Cl17 1 0.50706788 0.50353394 0.75353394 1.0 Cl Cl18 1 0.99293212 0.74646606 0.99646606 1.0 Cl Cl19 1 0.74646606 0.25000000 0.75353394 1.0 Cl Cl20 1 0.99646606 0.99293212 0.74646606 1.0 Cl Cl21 1 0.25000000 0.99646606 0.50353394 1.0 Cl Cl22 1 0.75353394 0.50706788 0.50353394 1.0 Cl Cl23 1 0.50353394 0.25000000 0.99646606 1.0 Cl Cl24 1 0.75353394 0.74646606 0.25000000 1.0 Cl Cl25 1 0.74646606 0.99646606 0.99293212 1.0 Cl Cl26 1 0.99646606 0.50353394 0.25000000 1.0 Cl Cl27 1 0.50353394 0.75353394 0.50706788 1.0