data_[Ga2Cu2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9789]
_cell_length_b [4.9877]
_cell_length_c [6.5346]
_cell_angle_alpha [76.3981]
_cell_angle_beta [72.5937]
_cell_angle_gamma [68.3479]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaCuSn]
_chemical_formula_sum '[Ga2 Cu2 Sn2]'
_cell_volume [113.8691]
_cell_formula_units_Z [2]
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  1  0.6421  0.0490  0.4691  1.0
  Ga  Ga1  1  0.8600  0.1466  0.9265  1.0
  Cu  Cu2  1  0.1880  0.2484  0.1728  1.0
  Cu  Cu3  1  0.9102  0.4442  0.5272  1.0
  Sn  Sn4  1  0.2120  0.6043  0.7780  1.0
  Sn  Sn5  1  0.4538  0.6677  0.2254  1.0
]