# generated using pymatgen data_Hf3Zr3BeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29225055 _cell_length_b 7.29225156 _cell_length_c 3.70106646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001320 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr3BeAs2 _chemical_formula_sum 'Hf3 Zr3 Be1 As2' _cell_volume 170.44359338 _cell_formula_units_Z 1 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 Hf Hf0 1 0.24012359 1.00000000 0.00000000 1.0 Hf Hf1 1 0.75987641 0.75987641 0.00000000 1.0 Hf Hf2 1 1.00000000 0.24012359 0.00000000 1.0 Zr Zr3 1 1.00000000 0.59129936 0.50000000 1.0 Zr Zr4 1 0.40870064 0.40870064 0.50000000 1.0 Zr Zr5 1 0.59129936 1.00000000 0.50000000 1.0 Be Be6 1 0.00000000 0.00000000 0.50000000 1.0 As As7 1 0.33333300 0.66666700 0.00000000 1.0 As As8 1 0.66666700 0.33333300 0.00000000 1.0