data_[Zn12Ga6]
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 [Amm2]
_cell_length_a [3.1902]
_cell_length_b [13.5031]
_cell_length_c [7.2057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zn2Ga]
_chemical_formula_sum '[Zn12 Ga6]'
_cell_volume [310.4050]
_cell_formula_units_Z [6]
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  4  0.0000  0.1429  0.1469  1.0
  Zn  Zn1  4  0.5000  0.1820  0.8248  1.0
  Zn  Zn2  2  0.0000  0.0000  0.6852  1.0
  Zn  Zn3  2  0.5000  0.0000  0.3660  1.0
  Ga  Ga4  4  0.0000  0.1735  0.5076  1.0
  Ga  Ga5  2  0.5000  0.0000  0.9900  1.0
]