data_[Zn10Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.7281]
_cell_length_b [10.7281]
_cell_length_c [2.7122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Zn5Ga4]
_chemical_formula_sum '[Zn10 Ga8]'
_cell_volume [312.1560]
_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
[
  Zn  Zn0  8  0.1655  0.8345  0.5000  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  8  0.0000  0.3270  0.0000  1.0
]