data_[Ga10Cu10]
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 [C2/m]
_cell_length_a [12.1407]
_cell_length_b [4.1529]
_cell_length_c [7.0021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaCu]
_chemical_formula_sum '[Ga10 Cu10]'
_cell_volume [289.8723]
_cell_formula_units_Z [10]
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  0.1197  0.5000  0.0025  1.0
  Ga  Ga1  4  0.1555  0.0000  0.4590  1.0
  Ga  Ga2  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  4  0.1129  0.0000  0.7774  1.0
  Cu  Cu4  4  0.2437  0.5000  0.7636  1.0
  Cu  Cu5  2  0.0000  0.0000  0.0000  1.0
]