data_[Pr4Sm4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8566]
_cell_length_b [4.1175]
_cell_length_c [8.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSmRu]
_chemical_formula_sum '[Pr4 Sm4 Ru4]'
_cell_volume [332.7549]
_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
[
  Pr  Pr0  4  0.1893  0.0000  0.5998  1.0
  Sm  Sm1  4  0.0862  0.5000  0.8727  1.0
  Ru  Ru2  4  0.1394  0.0000  0.1395  1.0
]