data_[Tm3Fe3Si2Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6334]
_cell_length_b [6.6334]
_cell_length_c [4.1053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Tm3Fe3Si2Ru]
_chemical_formula_sum '[Tm3 Fe3 Si2 Ru1]'
_cell_volume [156.4421]
_cell_formula_units_Z [1]
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  3  0.0000  0.5790  0.0000  1
  Fe  Fe1  3  0.0000  0.2325  0.5000  1
  Si  Si2  2  0.3333  0.6667  0.5000  1
  Ru  Ru3  1  0.0000  0.0000  0.0000  1
]