data_[Pm36Ag18Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0200]
_cell_length_b [12.0200]
_cell_length_c [13.5007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12Ag6Ru]
_chemical_formula_sum '[Pm36 Ag18 Ru3]'
_cell_volume [1689.2616]
_cell_formula_units_Z [3]
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  18  0.0345  0.1923  0.8732  1
  Pm  Pm1  18  0.0440  0.8489  0.3907  1
  Ag  Ag2  18  0.0008  0.4011  0.7400  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]