data_[Hf4Mg4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9807]
_cell_length_b [3.2534]
_cell_length_c [7.9308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfMgZn]
_chemical_formula_sum '[Hf4 Mg4 Zn4]'
_cell_volume [233.2610]
_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
[
  Hf  Hf0  4  0.1090  0.0000  0.8554  1.0
  Mg  Mg1  4  0.1481  0.5000  0.5404  1.0
  Zn  Zn2  4  0.1284  0.5000  0.1665  1.0
]