data_[Cs2Ga2Te2]
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 [P1]
_cell_length_a [4.9764]
_cell_length_b [6.7746]
_cell_length_c [8.8937]
_cell_angle_alpha [77.4889]
_cell_angle_beta [87.0266]
_cell_angle_gamma [72.7315]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsGaTe]
_chemical_formula_sum '[Cs2 Ga2 Te2]'
_cell_volume [279.4955]
_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
[
  Cs  Cs0  1  0.7179  0.0830  0.2070  1.0
  Cs  Cs1  1  0.8446  0.7140  0.8070  1.0
  Ga  Ga2  1  0.0565  0.4845  0.4385  1.0
  Ga  Ga3  1  0.4805  0.6330  0.4636  1.0
  Te  Te4  1  0.2197  0.0492  0.5324  1.0
  Te  Te5  1  0.3333  0.6437  0.1578  1.0
]