data_[Tm4Cr4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [6.7061]
_cell_length_b [6.7061]
_cell_length_c [5.5798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [TmCrRu]
_chemical_formula_sum '[Tm4 Cr4 Ru4]'
_cell_volume [250.9309]
_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  0.2305  0.7695  0.7500  1
  Cr  Cr1  4  0.0683  0.9317  0.2500  1
  Ru  Ru2  4  0.1846  0.1846  0.0000  1
]