data_[Pr12Ge2Bi4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7876]
_cell_length_b [4.5327]
_cell_length_c [9.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GeBi2Te3]
_chemical_formula_sum '[Pr12 Ge2 Bi4 Te6]'
_cell_volume [796.6568]
_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
[
  Pr  Pr0  4  0.0010  0.0000  0.7732  1.0
  Pr  Pr1  4  0.1557  0.5000  0.0781  1.0
  Pr  Pr2  4  0.1657  0.5000  0.5822  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.1664  0.0000  0.3334  1.0
  Te  Te5  4  0.1701  0.0000  0.8352  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]