data_[Ba4Pm2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2349]
_cell_length_b [7.2349]
_cell_length_c [12.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ba2PmCl6]
_chemical_formula_sum '[Ba4 Pm2 Cl12]'
_cell_volume [672.8072]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.3238  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.2034  0.7966  0.1471  1
  Cl  Cl3  4  0.2240  0.7760  0.5000  1
]