data_[Cu2Sn2Ge2Te6]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8814]
_cell_length_b [4.2118]
_cell_length_c [9.2817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuSnGeTe3]
_chemical_formula_sum '[Cu2 Sn2 Ge2 Te6]'
_cell_volume [336.4072]
_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  0.0728  0.2500  0.5440  1.0
  Sn  Sn1  2  0.1706  0.2500  0.1889  1.0
  Ge  Ge2  2  0.3453  0.7500  0.8547  1.0
  Te  Te3  2  0.1033  0.2500  0.8543  1.0
  Te  Te4  2  0.2376  0.7500  0.5253  1.0
  Te  Te5  2  0.4370  0.7500  0.1749  1.0
]