data_[Pm2B12Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7531]
_cell_length_b [7.5452]
_cell_length_c [8.0646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm(BRu)6]
_chemical_formula_sum '[Pm2 B12 Ru12]'
_cell_volume [289.2224]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  B  B1  8  0.2500  0.2500  0.2500  1
  B  B2  4  0.0000  0.2653  0.5000  1
  Ru  Ru3  4  0.0000  0.0000  0.3442  1
  Ru  Ru4  4  0.0000  0.3341  0.0000  1
  Ru  Ru5  4  0.0000  0.5000  0.3104  1
]