# generated using pymatgen data_Ni2Mo3AsH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75620558 _cell_length_b 7.75620418 _cell_length_c 7.75620572 _cell_angle_alpha 60.00000180 _cell_angle_beta 60.00000775 _cell_angle_gamma 59.99999922 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2Mo3AsH _chemical_formula_sum 'Ni8 Mo12 As4 H4' _cell_volume 329.93842350 _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 Ni Ni0 1 0.91908902 0.91908902 0.24273194 1.0 Ni Ni1 1 0.33091098 0.33091098 0.33091098 1.0 Ni Ni2 1 0.24273194 0.91908902 0.91908902 1.0 Ni Ni3 1 0.33091098 0.00726806 0.33091098 1.0 Ni Ni4 1 0.00726806 0.33091098 0.33091098 1.0 Ni Ni5 1 0.33091098 0.33091098 0.00726806 1.0 Ni Ni6 1 0.91908902 0.91908902 0.91908902 1.0 Ni Ni7 1 0.91908902 0.24273194 0.91908902 1.0 Mo Mo8 1 0.67955945 0.32044055 0.32044055 1.0 Mo Mo9 1 0.92955945 0.92955945 0.57044055 1.0 Mo Mo10 1 0.67955945 0.67955945 0.32044055 1.0 Mo Mo11 1 0.67955945 0.32044055 0.67955945 1.0 Mo Mo12 1 0.32044055 0.67955945 0.32044055 1.0 Mo Mo13 1 0.57044055 0.92955945 0.57044055 1.0 Mo Mo14 1 0.57044055 0.92955945 0.92955945 1.0 Mo Mo15 1 0.92955945 0.57044055 0.57044055 1.0 Mo Mo16 1 0.92955945 0.57044055 0.92955945 1.0 Mo Mo17 1 0.32044055 0.32044055 0.67955945 1.0 Mo Mo18 1 0.57044055 0.57044055 0.92955945 1.0 Mo Mo19 1 0.32044055 0.67955945 0.67955945 1.0 As As20 1 0.12500000 0.12500000 0.12500000 1.0 As As21 1 0.62500000 0.12500000 0.12500000 1.0 As As22 1 0.12500000 0.12500000 0.62500000 1.0 As As23 1 0.12500000 0.62500000 0.12500000 1.0 H H24 1 0.62500000 0.62500000 0.62500000 1.0 H H25 1 0.62500000 0.62500000 0.12500000 1.0 H H26 1 0.12500000 0.62500000 0.62500000 1.0 H H27 1 0.62500000 0.12500000 0.62500000 1.0