data_[Tm8Ni4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5213]
_cell_length_b [4.2798]
_cell_length_c [8.2251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm4Ni2Ru]
_chemical_formula_sum '[Tm8 Ni4 Ru2]'
_cell_volume [299.1150]
_cell_formula_units_Z [2]
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  0.0846  0.0000  0.3764  1
  Tm  Tm1  4  0.1880  0.5000  0.0877  1
  Ni  Ni2  4  0.1402  0.5000  0.6476  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]