data_[Pr12Te6P4Cl2]
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 [19.1832]
_cell_length_b [4.2947]
_cell_length_c [8.8593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Te3P2Cl]
_chemical_formula_sum '[Pr12 Te6 P4 Cl2]'
_cell_volume [706.0310]
_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  0.0147  0.0000  0.2467  1.0
  Pr  Pr1  4  0.1678  0.5000  0.1162  1.0
  Pr  Pr2  4  0.1760  0.5000  0.5631  1.0
  Te  Te3  4  0.1620  0.0000  0.8337  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.1681  0.0000  0.3352  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]