data_[Sm4Ga4Ru8]
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 [Pmma]
_cell_length_a [5.6220]
_cell_length_b [6.5154]
_cell_length_c [9.2927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SmGaRu2]
_chemical_formula_sum '[Sm4 Ga4 Ru8]'
_cell_volume [340.3871]
_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  2  0.2500  0.0000  0.5893  1
  Sm  Sm1  2  0.2500  0.5000  0.7788  1
  Ga  Ga2  2  0.2500  0.0000  0.2479  1
  Ga  Ga3  2  0.2500  0.5000  0.2883  1
  Ru  Ru4  4  0.2500  0.3118  0.0521  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
  Ru  Ru6  2  0.0000  0.5000  0.5000  1
]