data_[Sm16Ga4Ru2]
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 [C2/m]
_cell_length_a [18.0385]
_cell_length_b [5.1249]
_cell_length_c [6.8149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Ga2Ru]
_chemical_formula_sum '[Sm16 Ga4 Ru2]'
_cell_volume [616.3698]
_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  4  0.0239  0.0000  0.7805  1.0
  Sm  Sm1  4  0.0905  0.5000  0.4418  1.0
  Sm  Sm2  4  0.1532  0.5000  0.9593  1.0
  Sm  Sm3  4  0.2042  0.0000  0.3039  1.0
  Ga  Ga4  4  0.1923  0.0000  0.7402  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]