data_[Tm20Ni4Bi8]
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 [Cmcm]
_cell_length_a [5.3504]
_cell_length_b [15.9687]
_cell_length_c [13.8446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm5NiBi2]
_chemical_formula_sum '[Tm20 Ni4 Bi8]'
_cell_volume [1182.8695]
_cell_formula_units_Z [4]
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  0.0000  0.0595  0.1213  1
  Tm  Tm1  8  0.0000  0.2719  0.0987  1
  Tm  Tm2  4  0.0000  0.3033  0.7500  1
  Ni  Ni3  4  0.0000  0.1736  0.2500  1
  Bi  Bi4  8  0.0000  0.1351  0.5867  1
]