data_[Ce8Pm4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8688]
_cell_length_b [3.8100]
_cell_length_c [11.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2PmRu2]
_chemical_formula_sum '[Ce8 Pm4 Ru8]'
_cell_volume [478.7935]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  4  0.0699  0.0000  0.6987  1
  Ce  Ce1  4  0.1651  0.0000  0.0745  1
  Pm  Pm2  4  0.1791  0.5000  0.3501  1
  Ru  Ru3  4  0.0580  0.5000  0.9127  1
  Ru  Ru4  4  0.1242  0.5000  0.5790  1
]