data_[Pr4Te4Cl4O16]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6512]
_cell_length_b [7.5804]
_cell_length_c [7.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrTeClO4]
_chemical_formula_sum '[Pr4 Te4 Cl4 O16]'
_cell_volume [557.8420]
_cell_formula_units_Z [4]
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  0.2221  0.0000  0.1213  1
  Te  Te1  4  0.1381  0.5000  0.2704  1
  Cl  Cl2  4  0.0148  0.0000  0.7716  1
  O  O3  8  0.1970  0.3184  0.1422  1
  O  O4  4  0.0392  0.5000  0.7809  1
  O  O5  4  0.2200  0.5000  0.5283  1
]