data_[Cs12Ga8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7660]
_cell_length_b [12.1813]
_cell_length_c [8.8707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(GaTe2)2]
_chemical_formula_sum '[Cs12 Ga8 Te16]'
_cell_volume [1679.2303]
_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
[
  Cs  Cs0  8  0.1361  0.1295  0.5927  1.0
  Cs  Cs1  4  0.0000  0.3961  0.2500  1.0
  Ga  Ga2  8  0.2108  0.3827  0.9389  1.0
  Te  Te3  8  0.1244  0.1982  0.0074  1.0
  Te  Te4  8  0.1818  0.4484  0.6249  1.0
]