data_[Zn16Ga4Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.7193]
_cell_length_b [9.4931]
_cell_length_c [5.3718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Zn4GaCu2]
_chemical_formula_sum '[Zn16 Ga4 Cu8]'
_cell_volume [421.4541]
_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  4  0.0049  0.9025  0.7460  1.0
  Zn  Zn1  4  0.1638  0.4641  0.0811  1.0
  Zn  Zn2  4  0.1856  0.4787  0.5869  1.0
  Zn  Zn3  4  0.2316  0.7453  0.1185  1.0
  Ga  Ga4  2  0.0000  0.1521  0.0000  1.0
  Ga  Ga5  2  0.0000  0.1595  0.5000  1.0
  Cu  Cu6  4  0.0046  0.6356  0.7500  1.0
  Cu  Cu7  4  0.2385  0.7534  0.6153  1.0
]