# generated using pymatgen data_NpNiAsH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09276476 _cell_length_b 4.09276421 _cell_length_c 8.28912664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001285 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpNiAsH2 _chemical_formula_sum 'Np2 Ni2 As2 H4' _cell_volume 120.24661459 _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 Np Np0 1 0.00000000 0.00000000 0.50000000 1.0 Np Np1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.33333300 0.66666700 0.75000000 1.0 Ni Ni3 1 0.66666700 0.33333300 0.25000000 1.0 As As4 1 0.66666700 0.33333300 0.75000000 1.0 As As5 1 0.33333300 0.66666700 0.25000000 1.0 H H6 1 0.66666700 0.33333300 0.05917758 1.0 H H7 1 0.33333300 0.66666700 0.94082242 1.0 H H8 1 0.66666700 0.33333300 0.44082242 1.0 H H9 1 0.33333300 0.66666700 0.55917758 1.0