data_[Cu2Sn2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  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 [9.2789]
_cell_length_b [4.3242]
_cell_length_c [9.7382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuSnBiTe3]
_chemical_formula_sum '[Cu2 Sn2 Bi2 Te6]'
_cell_volume [378.8649]
_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
[
  Cu  Cu0  2  0.0698  0.2500  0.5121  1.0
  Sn  Sn1  2  0.1632  0.2500  0.1867  1.0
  Bi  Bi2  2  0.3403  0.7500  0.8366  1.0
  Te  Te3  2  0.0923  0.2500  0.8664  1.0
  Te  Te4  2  0.2219  0.7500  0.5095  1.0
  Te  Te5  2  0.4239  0.7500  0.1772  1.0
]