data_[Pr6C2Se2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2079]
_cell_length_b [4.0208]
_cell_length_c [10.5542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3CSeCl]
_chemical_formula_sum '[Pr6 C2 Se2 Cl2]'
_cell_volume [347.2872]
_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  2  0.1451  0.7500  0.8693  1
  Pr  Pr1  2  0.3693  0.2500  0.6349  1
  Pr  Pr2  2  0.4034  0.2500  0.1167  1
  Se  Se3  2  0.1362  0.7500  0.1550  1
  C  C4  2  0.3659  0.2500  0.8653  1
  Cl  Cl5  2  0.1284  0.7500  0.5934  1
]