data_[Pm2Sm2Ru2]
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 [P-6m2]
_cell_length_a [4.8526]
_cell_length_b [4.8526]
_cell_length_c [8.3922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [PmSmRu]
_chemical_formula_sum '[Pm2 Sm2 Ru2]'
_cell_volume [171.1392]
_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  0.3333  0.6667  0.7526  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  1  0.6667  0.3333  0.5000  1
  Ru  Ru3  2  0.6667  0.3333  0.8476  1
]