data_[Ga2Cu2Sn2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6792]
_cell_length_b [5.6792]
_cell_length_c [11.3092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [GaCuSnSe4]
_chemical_formula_sum '[Ga2 Cu2 Sn2 Se8]'
_cell_volume [364.7523]
_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  2  0.0000  0.5000  0.7500  1.0
  Cu  Cu1  2  0.0000  0.5000  0.2500  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2287  0.2330  0.1264  1.0
]