data_[Sm36Ga18Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.9918]
_cell_length_b [12.9918]
_cell_length_c [12.1824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12Ga6Ru]
_chemical_formula_sum '[Sm36 Ga18 Ru3]'
_cell_volume [1780.7386]
_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
[
  Sm  Sm0  18  0.0375  0.8265  0.3929  1
  Sm  Sm1  18  0.0522  0.8512  0.8833  1
  Ga  Ga2  18  0.0542  0.7803  0.6443  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]