data_[Tm2Al14Fe10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0119]
_cell_length_b [8.6205]
_cell_length_c [8.6131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TmAl7Fe5]
_chemical_formula_sum '[Tm2 Al14 Fe10]'
_cell_volume [372.1247]
_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  2  0.0000  0.0000  0.9945  1.0
  Al  Al1  4  0.0000  0.2913  0.4953  1.0
  Al  Al2  4  0.0000  0.3417  0.0085  1.0
  Al  Al3  2  0.0000  0.0000  0.3395  1.0
  Al  Al4  2  0.0000  0.0000  0.6605  1.0
  Al  Al5  2  0.0000  0.5000  0.7263  1.0
  Fe  Fe6  8  0.2473  0.2501  0.7515  1.0
  Fe  Fe7  2  0.0000  0.5000  0.2655  1.0
]