data_[Sm16Ga4Ru4]
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/c]
_cell_length_a [8.9655]
_cell_length_b [13.5270]
_cell_length_c [6.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4GaRu]
_chemical_formula_sum '[Sm16 Ga4 Ru4]'
_cell_volume [666.3188]
_cell_formula_units_Z [4]
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  8  0.1194  0.1787  0.5859  1.0
  Sm  Sm1  8  0.2127  0.5662  0.3112  1.0
  Ga  Ga2  4  0.0000  0.3711  0.2500  1.0
  Ru  Ru3  4  0.0000  0.0001  0.2500  1.0
]