data_[Pr6Rh2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8524]
_cell_length_b [4.0504]
_cell_length_c [12.0361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3RhCl3]
_chemical_formula_sum '[Pr6 Rh2 Cl6]'
_cell_volume [430.7121]
_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  0.1104  0.2500  0.3732  1
  Pr  Pr1  2  0.1366  0.2500  0.8569  1
  Pr  Pr2  2  0.3330  0.7500  0.6222  1
  Rh  Rh3  2  0.1129  0.2500  0.6220  1
  Cl  Cl4  2  0.1022  0.2500  0.1113  1
  Cl  Cl5  2  0.3719  0.7500  0.8676  1
  Cl  Cl6  2  0.3921  0.7500  0.3775  1
]