data_[Pr12Bi6Te2P4]
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
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5012]
_cell_length_b [4.4446]
_cell_length_c [9.0424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Bi3TeP2]
_chemical_formula_sum '[Pr12 Bi6 Te2 P4]'
_cell_volume [761.3887]
_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  0.0115  0.0000  0.2578  1.0
  Pr  Pr1  4  0.1711  0.5000  0.1081  1.0
  Pr  Pr2  4  0.1738  0.5000  0.5678  1.0
  Bi  Bi3  4  0.1615  0.0000  0.8327  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  P  P6  4  0.1691  0.0000  0.3357  1.0
]