data_[Ga4Cu4Sn4]
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 [Ima2]
_cell_length_a [5.2001]
_cell_length_b [6.5717]
_cell_length_c [6.5364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [GaCuSn]
_chemical_formula_sum '[Ga4 Cu4 Sn4]'
_cell_volume [223.3709]
_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
[
  Ga  Ga0  4  0.2500  0.6683  0.5907  1.0
  Cu  Cu1  4  0.0000  0.0000  0.7686  1.0
  Sn  Sn2  4  0.2500  0.1533  0.4119  1.0
]