data_[Sm12In6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4005]
_cell_length_b [5.3724]
_cell_length_c [11.5683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm6In3Ru]
_chemical_formula_sum '[Sm12 In6 Ru2]'
_cell_volume [556.6974]
_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  0.1034  0.7500  0.8536  1
  Sm  Sm1  2  0.1235  0.7500  0.1503  1
  Sm  Sm2  2  0.1491  0.2500  0.6714  1
  Sm  Sm3  2  0.2161  0.7500  0.4972  1
  Sm  Sm4  2  0.3086  0.2500  0.3343  1
  Sm  Sm5  2  0.4576  0.7500  0.0843  1
  In  In6  2  0.2292  0.2500  0.0253  1
  In  In7  2  0.4078  0.7500  0.7806  1
  In  In8  2  0.4883  0.2500  0.6219  1
  Ru  Ru9  2  0.0372  0.2500  0.4061  1
]