data_[Ga4Cu8Te12]
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
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.4200]
_cell_length_b [12.7890]
_cell_length_c [7.3190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [GaCu2Te3]
_chemical_formula_sum '[Ga4 Cu8 Te12]'
_cell_volume [654.2393]
_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  0.3610  0.0869  0.6055  1.0
  Cu  Cu1  4  0.3658  0.2500  0.1159  1.0
  Cu  Cu2  4  0.3737  0.4176  0.6174  1.0
  Te  Te3  4  0.0014  0.4125  0.4962  1.0
  Te  Te4  4  0.4812  0.4159  0.9879  1.0
  Te  Te5  4  0.4980  0.2567  0.4871  1.0
]