# generated using pymatgen data_CeNiAsH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01698658 _cell_length_b 8.30848662 _cell_length_c 7.08067588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeNiAsH _chemical_formula_sum 'Ce4 Ni4 As4 H4' _cell_volume 236.31811835 _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 Ce Ce0 1 0.75000000 0.50509622 0.75407858 1.0 Ce Ce1 1 0.25000000 0.49490378 0.24592142 1.0 Ce Ce2 1 0.25000000 0.99490378 0.25407858 1.0 Ce Ce3 1 0.75000000 0.00509622 0.74592142 1.0 Ni Ni4 1 0.75000000 0.23362359 0.41032794 1.0 Ni Ni5 1 0.25000000 0.76637641 0.58967206 1.0 Ni Ni6 1 0.25000000 0.26637641 0.91032794 1.0 Ni Ni7 1 0.75000000 0.73362359 0.08967206 1.0 As As8 1 0.75000000 0.22663739 0.07802658 1.0 As As9 1 0.25000000 0.77336261 0.92197342 1.0 As As10 1 0.25000000 0.27336261 0.57802658 1.0 As As11 1 0.75000000 0.72663739 0.42197342 1.0 H H12 1 0.25000000 0.95701247 0.57935566 1.0 H H13 1 0.75000000 0.04298753 0.42064434 1.0 H H14 1 0.75000000 0.54298753 0.07935566 1.0 H H15 1 0.25000000 0.45701247 0.92064434 1.0