data_[Pr12Bi4Sb6Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9241]
_cell_length_b [4.5810]
_cell_length_c [9.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Bi2Sb3Te]
_chemical_formula_sum '[Pr12 Bi4 Sb6 Te2]'
_cell_volume [816.8493]
_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  0.0015  0.0000  0.7445  1.0
  Pr  Pr1  4  0.1655  0.5000  0.5863  1.0
  Pr  Pr2  4  0.1682  0.5000  0.0799  1.0
  Bi  Bi3  4  0.1663  0.0000  0.3323  1.0
  Sb  Sb4  4  0.1664  0.0000  0.8336  1.0
  Sb  Sb5  2  0.0000  0.5000  0.5000  1.0
  Te  Te6  2  0.0000  0.5000  0.0000  1.0
]