data_[Ga2Cu6Te6]
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 [Pc]
_cell_length_a [6.9989]
_cell_length_b [19.8156]
_cell_length_c [10.3015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ga(CuTe)3]
_chemical_formula_sum '[Ga2 Cu6 Te6]'
_cell_volume [1099.6624]
_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  0.8748  0.4961  0.5688  1
  Cu  Cu1  2  0.1324  0.4131  0.3025  1
  Cu  Cu2  2  0.4038  0.4830  0.8985  1
  Cu  Cu3  2  0.4981  0.4329  0.1664  1
  Te  Te4  2  0.2407  0.4588  0.5786  1
  Te  Te5  2  0.5824  0.3859  0.4332  1
  Te  Te6  2  0.6982  0.3785  0.0520  1
]