data_[Tm8Cd2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1309]
_cell_length_b [7.0556]
_cell_length_c [5.8488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm4CdRu]
_chemical_formula_sum '[Tm8 Cd2 Ru2]'
_cell_volume [330.0495]
_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  0.2071  0.6242  0.0622  1
  Tm  Tm1  4  0.3661  0.1401  0.0887  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  2  0.5000  0.0000  0.5000  1
]