data_[Zn4Ga4]
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 [P-1]
_cell_length_a [2.8495]
_cell_length_b [5.4583]
_cell_length_c [9.1218]
_cell_angle_alpha [95.9557]
_cell_angle_beta [95.6427]
_cell_angle_gamma [94.9644]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnGa]
_chemical_formula_sum '[Zn4 Ga4]'
_cell_volume [139.7534]
_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
[
  Zn  Zn0  2  0.2938  0.9445  0.6211  1.0
  Zn  Zn1  2  0.4567  0.3106  0.8824  1.0
  Ga  Ga2  2  0.0832  0.1877  0.1311  1.0
  Ga  Ga3  2  0.1600  0.5766  0.3709  1.0
]