data_[Tm12Ni2Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3884]
_cell_length_b [7.7737]
_cell_length_c [11.7904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6NiBi2]
_chemical_formula_sum '[Tm12 Ni2 Bi4]'
_cell_volume [501.6111]
_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  0.1029  0.1923  0.4643  1.0
  Tm  Tm1  4  0.3298  0.6810  0.4618  1.0
  Tm  Tm2  4  0.3813  0.0202  0.2512  1.0
  Ni  Ni3  2  0.5000  0.0000  0.5000  1.0
  Bi  Bi4  4  0.1431  0.1135  0.7455  1.0
]