# generated using pymatgen data_SmNiAsH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01769663 _cell_length_b 8.40842771 _cell_length_c 7.03296612 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmNiAsH _chemical_formula_sum 'Sm4 Ni4 As4 H4' _cell_volume 237.59126002 _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 Sm Sm0 1 0.75000000 0.50635407 0.75314848 1.0 Sm Sm1 1 0.25000000 0.49364593 0.24685152 1.0 Sm Sm2 1 0.25000000 0.99364593 0.25314848 1.0 Sm Sm3 1 0.75000000 0.00635407 0.74685152 1.0 Ni Ni4 1 0.75000000 0.23131262 0.41323439 1.0 Ni Ni5 1 0.25000000 0.76868738 0.58676561 1.0 Ni Ni6 1 0.25000000 0.26868738 0.91323439 1.0 Ni Ni7 1 0.75000000 0.73131262 0.08676561 1.0 As As8 1 0.75000000 0.23469368 0.07979956 1.0 As As9 1 0.25000000 0.76530632 0.92020044 1.0 As As10 1 0.25000000 0.26530632 0.57979956 1.0 As As11 1 0.75000000 0.73469368 0.42020044 1.0 H H12 1 0.25000000 0.95365184 0.58324300 1.0 H H13 1 0.75000000 0.04634816 0.41675700 1.0 H H14 1 0.75000000 0.54634816 0.08324300 1.0 H H15 1 0.25000000 0.45365184 0.91675700 1.0