data_[Tb4Ga4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [10.5929]
_cell_length_b [4.5926]
_cell_length_c [5.3104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbGaRu]
_chemical_formula_sum '[Tb4 Ga4 Ru4]'
_cell_volume [249.0709]
_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
[
  Tb  Tb0  4  0.1144  0.0000  0.3162  1
  Ga  Ga1  4  0.0993  0.5000  0.7456  1
  Ru  Ru2  4  0.1915  0.0000  0.8659  1
]