data_[Tm16Bi2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6012]
_cell_length_b [12.9623]
_cell_length_c [5.5054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8BiRu2]
_chemical_formula_sum '[Tm16 Bi2 Ru4]'
_cell_volume [596.6485]
_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  8  0.2025  0.1334  0.0859  1.0
  Tm  Tm1  4  0.0000  0.2495  0.5000  1.0
  Tm  Tm2  4  0.1066  0.5000  0.2931  1.0
  Bi  Bi3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.3124  0.0000  1.0
]