data_[Pm9Sm3Ru24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3866]
_cell_length_b [5.3866]
_cell_length_c [26.6071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pm3SmRu8]
_chemical_formula_sum '[Pm9 Sm3 Ru24]'
_cell_volume [668.5890]
_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  3  0.0000  0.0000  0.3750  1
  Pm  Pm1  3  0.0000  0.0000  0.4999  1
  Pm  Pm2  3  0.0000  0.0000  0.9999  1
  Sm  Sm3  3  0.0000  0.0000  0.8751  1
  Ru  Ru4  9  0.0007  0.5003  0.4377  1
  Ru  Ru5  9  0.1668  0.3335  0.2706  1
  Ru  Ru6  3  0.0000  0.0000  0.1874  1
  Ru  Ru7  3  0.0000  0.0000  0.6874  1
]