data_[Ga3Cu3Si1Se8]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [5.6664]
_cell_length_b [5.6664]
_cell_length_c [10.8065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [81]
_chemical_formula_structural [Ga3Cu3SiSe8]
_chemical_formula_sum '[Ga3 Cu3 Si1 Se8]'
_cell_volume [346.9767]
_cell_formula_units_Z [1]
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  0.7416  1.0
  Ga  Ga1  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2623  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Si  Si4  1  0.0000  0.0000  0.5000  1.0
  Se  Se5  4  0.2444  0.2520  0.1300  1.0
  Se  Se6  4  0.2487  0.7491  0.3907  1.0
]