data_[Cs4Ga4Te4]
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/m]
_cell_length_a [6.3239]
_cell_length_b [16.2798]
_cell_length_c [5.1462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsGaTe]
_chemical_formula_sum '[Cs4 Ga4 Te4]'
_cell_volume [528.9500]
_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  4  0.0000  0.1599  0.0000  1.0
  Ga  Ga1  4  0.1132  0.5000  0.2138  1.0
  Te  Te2  4  0.0000  0.3628  0.5000  1.0
]