data_[Tm8Ir2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7344]
_cell_length_b [6.7318]
_cell_length_c [6.7310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm4IrRu]
_chemical_formula_sum '[Tm8 Ir2 Ru2]'
_cell_volume [305.1408]
_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  0.1698  0.1671  0.3346  1
  Tm  Tm1  4  0.3350  0.6674  0.3309  1
  Ir  Ir2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  2  0.5000  0.0000  0.5000  1
]