data_[Sm6Ga8Ru4]
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 [10.5295]
_cell_length_b [4.4560]
_cell_length_c [8.4524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(Ga2Ru)2]
_chemical_formula_sum '[Sm6 Ga8 Ru4]'
_cell_volume [381.2139]
_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  0.1274  0.5000  0.6929  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0960  0.0000  0.4067  1.0
  Ga  Ga3  4  0.2184  0.5000  0.0755  1.0
  Ru  Ru4  4  0.1848  0.5000  0.3583  1.0
]