data_[Ga3Cu3Te3Se3]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2072]
_cell_length_b [4.2072]
_cell_length_c [20.2861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [GaCuTeSe]
_chemical_formula_sum '[Ga3 Cu3 Te3 Se3]'
_cell_volume [310.9724]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5111  1
  Cu  Cu1  3  0.0000  0.0000  0.0141  1
  Te  Te2  3  0.0000  0.0000  0.3819  1
  Se  Se3  3  0.0000  0.0000  0.8925  1
]