data_[Pr12Te2P4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4556]
_cell_length_b [4.1937]
_cell_length_c [8.6384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6TeP2Cl3]
_chemical_formula_sum '[Pr12 Te2 P4 Cl6]'
_cell_volume [658.8374]
_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  0.0185  0.0000  0.2693  1
  Pr  Pr1  4  0.1721  0.5000  0.1153  1
  Pr  Pr2  4  0.1723  0.5000  0.5638  1
  Te  Te3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.1734  0.0000  0.3383  1
  Cl  Cl5  4  0.1611  0.0000  0.8331  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]