data_[Tm14Bi4Ru4]
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 [Imm2]
_cell_length_a [3.9479]
_cell_length_b [16.2239]
_cell_length_c [9.1797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tm7(BiRu)2]
_chemical_formula_sum '[Tm14 Bi4 Ru4]'
_cell_volume [587.9644]
_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  0.0000  0.1589  0.7337  1.0
  Tm  Tm1  4  0.0000  0.1829  0.1012  1.0
  Tm  Tm2  4  0.0000  0.3643  0.8942  1.0
  Tm  Tm3  2  0.0000  0.5000  0.4795  1.0
  Bi  Bi4  2  0.0000  0.0000  0.2406  1.0
  Bi  Bi5  2  0.0000  0.5000  0.1450  1.0
  Ru  Ru6  4  0.0000  0.2586  0.4114  1.0
]