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 [P-1]
_cell_length_a [5.3935]
_cell_length_b [7.2537]
_cell_length_c [7.3777]
_cell_angle_alpha [71.5529]
_cell_angle_beta [76.1910]
_cell_angle_gamma [76.0864]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsGaTe]
_chemical_formula_sum '[Cs2 Ga2 Te2]'
_cell_volume [261.5933]
_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  2  0.1312  0.3139  0.8064  1.0
  Ga  Ga1  2  0.2384  0.9336  0.4417  1.0
  Te  Te2  2  0.4980  0.7542  0.7541  1.0
]