data_[Cs2Ga2Bi2Te6]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1071]
_cell_length_b [4.9216]
_cell_length_c [10.8216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsGaBiTe3]
_chemical_formula_sum '[Cs2 Ga2 Bi2 Te6]'
_cell_volume [511.3658]
_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  0.2065  0.2500  0.2432  1.0
  Ga  Ga1  2  0.0956  0.2500  0.6022  1.0
  Bi  Bi2  2  0.3343  0.7500  0.8710  1.0
  Te  Te3  2  0.1228  0.2500  0.8604  1.0
  Te  Te4  2  0.1898  0.7500  0.5413  1.0
  Te  Te5  2  0.4727  0.7500  0.1623  1.0
]