data_[Tm16Fe4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7709]
_cell_length_b [13.1234]
_cell_length_c [5.9669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4FeBi]
_chemical_formula_sum '[Tm16 Fe4 Bi4]'
_cell_volume [639.8432]
_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  0.1060  0.1613  0.0596  1
  Tm  Tm1  8  0.2281  0.4283  0.3628  1
  Fe  Fe2  4  0.0000  0.0006  0.7500  1
  Bi  Bi3  4  0.0000  0.3715  0.7500  1
]