data_[Ga2Te2I14]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.2928]
_cell_length_b [7.5488]
_cell_length_c [15.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [GaTeI7]
_chemical_formula_sum '[Ga2 Te2 I14]'
_cell_volume [932.4883]
_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  0.6897  0.4923  0.6967  1.0
  Te  Te1  2  0.0165  0.1060  0.8423  1.0
  I  I2  2  0.2248  0.3501  0.9527  1.0
  I  I3  2  0.2638  0.0762  0.2861  1.0
  I  I4  2  0.4562  0.3416  0.5756  1.0
  I  I5  2  0.6526  0.1700  0.1940  1.0
  I  I6  2  0.6850  0.3560  0.8521  1.0
  I  I7  2  0.9682  0.1156  0.4779  1.0
  I  I8  2  0.9770  0.4046  0.6667  1.0
]