data_[Pr6Se4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8889]
_cell_length_b [4.1589]
_cell_length_c [7.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(SeCl)2]
_chemical_formula_sum '[Pr6 Se4 Cl4]'
_cell_volume [415.0345]
_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  0.2459  0.0000  0.7837  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1070  0.5000  0.8400  1
  Cl  Cl3  4  0.1435  0.0000  0.3689  1
]