data_[Ga6Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.7031]
_cell_length_b [11.1479]
_cell_length_c [6.0126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GaCu]
_chemical_formula_sum '[Ga6 Cu6]'
_cell_volume [181.1843]
_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
[
  Ga  Ga0  4  0.0000  0.2162  0.2776  1.0
  Ga  Ga1  2  0.0000  0.0000  0.9139  1.0
  Cu  Cu2  4  0.5000  0.1170  0.6092  1.0
  Cu  Cu3  2  0.0000  0.0000  0.3146  1.0
]