data_[Pr10N8Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4885]
_cell_length_b [3.7217]
_cell_length_c [9.4966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5N4Cl]
_chemical_formula_sum '[Pr10 N8 Cl2]'
_cell_volume [381.7220]
_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  0.1104  0.5000  0.8691  1
  Pr  Pr1  4  0.2108  0.0000  0.3249  1
  Pr  Pr2  2  0.0000  0.0000  0.5000  1
  N  N3  4  0.1000  0.5000  0.3989  1
  N  N4  4  0.1988  0.0000  0.7973  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]