data_[Ga8Te8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.4420]
_cell_length_b [7.1444]
_cell_length_c [8.0226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ga2Te2Se]
_chemical_formula_sum '[Ga8 Te8 Se4]'
_cell_volume [612.6757]
_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  0.0802  0.0595  0.5027  1
  Ga  Ga1  4  0.4249  0.1055  0.5030  1
  Te  Te2  4  0.0684  0.4187  0.3919  1
  Te  Te3  4  0.2240  0.1143  0.8899  1
  Se  Se4  4  0.3797  0.4137  0.3701  1
]