data_[Hf2Mg28Zn2]
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 [Amm2]
_cell_length_a [10.1254]
_cell_length_b [6.2490]
_cell_length_c [11.1731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfMg14Zn]
_chemical_formula_sum '[Hf2 Mg28 Zn2]'
_cell_volume [706.9672]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.6715  1.0
  Mg  Mg1  8  0.2553  0.2489  0.5845  1.0
  Mg  Mg2  4  0.0000  0.2479  0.4171  1.0
  Mg  Mg3  4  0.2502  0.0000  0.8304  1.0
  Mg  Mg4  4  0.2587  0.0000  0.3297  1.0
  Mg  Mg5  4  0.5000  0.2454  0.9210  1.0
  Mg  Mg6  2  0.0000  0.0000  0.1673  1.0
  Mg  Mg7  2  0.0000  0.0000  0.6664  1.0
  Zn  Zn8  2  0.5000  0.0000  0.1604  1.0
]