data_[Pr4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4703]
_cell_length_b [12.8811]
_cell_length_c [7.0635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrCl3]
_chemical_formula_sum '[Pr4 Cl12]'
_cell_volume [639.6942]
_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  0.0000  0.1666  0.0000  1.0
  Cl  Cl1  8  0.2291  0.1959  0.7655  1.0
  Cl  Cl2  4  0.1792  0.0000  0.2386  1.0
]