data_[Tm12Ga12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [10.7895]
_cell_length_b [4.1419]
_cell_length_c [14.1417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3Ga3Ru]
_chemical_formula_sum '[Tm12 Ga12 Ru4]'
_cell_volume [596.3903]
_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
[
  Tm  Tm0  4  0.0308  0.5000  0.3817  1
  Tm  Tm1  4  0.1089  0.5000  0.9230  1
  Tm  Tm2  4  0.2410  0.5000  0.2376  1
  Ga  Ga3  4  0.0316  0.0000  0.2319  1
  Ga  Ga4  4  0.1097  0.0000  0.0757  1
  Ga  Ga5  4  0.1339  0.0000  0.5406  1
  Ru  Ru6  4  0.2377  0.0000  0.3991  1
]