data_[Hf10Zr10Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.7355]
_cell_length_b [13.9389]
_cell_length_c [8.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Hf5Zr5Ga6]
_chemical_formula_sum '[Hf10 Zr10 Ga12]'
_cell_volume [646.7175]
_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  8  0.2500  0.1671  0.5001  1.0
  Hf  Hf1  2  0.5000  0.0000  0.7550  1.0
  Zr  Zr2  4  0.0000  0.1205  0.8792  1.0
  Zr  Zr3  4  0.5000  0.1206  0.1205  1.0
  Zr  Zr4  2  0.0000  0.0000  0.2448  1.0
  Ga  Ga5  4  0.0000  0.1970  0.1975  1.0
  Ga  Ga6  4  0.5000  0.1965  0.8025  1.0
  Ga  Ga7  2  0.0000  0.0000  0.6061  1.0
  Ga  Ga8  2  0.5000  0.0000  0.3946  1.0
]