data_[Tm24Fe8Bi4]
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 [Immm]
_cell_length_a [9.4773]
_cell_length_b [9.5522]
_cell_length_c [9.8902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6Fe2Bi]
_chemical_formula_sum '[Tm24 Fe8 Bi4]'
_cell_volume [895.3542]
_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  0.2248  0.2316  1.0
  Tm  Tm1  8  0.1967  0.5000  0.1847  1.0
  Tm  Tm2  8  0.2127  0.3142  0.5000  1.0
  Fe  Fe3  4  0.0000  0.3871  0.0000  1.0
  Fe  Fe4  4  0.0000  0.5000  0.3911  1.0
  Bi  Bi5  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi6  2  0.0000  0.0000  0.5000  1.0
]