data_[Sm4Ni2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7293]
_cell_length_b [4.0667]
_cell_length_c [8.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2NiRu]
_chemical_formula_sum '[Sm4 Ni2 Ru2]'
_cell_volume [175.8620]
_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
[
  Sm  Sm0  2  0.2130  0.2500  0.4320  1
  Sm  Sm1  2  0.2133  0.2500  0.9242  1
  Ni  Ni2  2  0.3577  0.7500  0.2134  1
  Ru  Ru3  2  0.3679  0.7500  0.7197  1
]