data_[Pm4Sn12Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5453]
_cell_length_b [4.3744]
_cell_length_c [24.0377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pm2Sn6Ru]
_chemical_formula_sum '[Pm4 Sn12 Ru2]'
_cell_volume [477.9310]
_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  0.3316  1
  Pm  Pm1  2  0.0000  0.0000  0.9922  1
  Sn  Sn2  2  0.0000  0.0000  0.5970  1
  Sn  Sn3  2  0.0000  0.0000  0.7182  1
  Sn  Sn4  2  0.5000  0.0000  0.0926  1
  Sn  Sn5  2  0.5000  0.0000  0.2143  1
  Sn  Sn6  2  0.5000  0.0000  0.4638  1
  Sn  Sn7  2  0.5000  0.0000  0.8834  1
  Ru  Ru8  2  0.5000  0.0000  0.7759  1
]