data_[Hf8Zr12Ga16]
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 [Cmce]
_cell_length_a [5.9404]
_cell_length_b [15.3932]
_cell_length_c [8.0002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Hf2Zr3Ga4]
_chemical_formula_sum '[Hf8 Zr12 Ga16]'
_cell_volume [731.5547]
_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  8  0.0000  0.1096  0.4117  1
  Zr  Zr1  8  0.2500  0.2073  0.7500  1
  Zr  Zr2  4  0.0000  0.0000  0.0000  1
  Ga  Ga3  8  0.0000  0.1757  0.0639  1
  Ga  Ga4  8  0.2500  0.0306  0.7500  1
]