data_[Tm4Ga16Fe3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9922]
_cell_length_b [5.9922]
_cell_length_c [11.1086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm4Ga16Fe3]
_chemical_formula_sum '[Tm4 Ga16 Fe3]'
_cell_volume [398.8643]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1939  1
  Ga  Ga1  8  0.2487  0.2487  0.3845  1
  Ga  Ga2  4  0.2810  0.2810  0.0000  1
  Ga  Ga3  2  0.0000  0.0000  0.2161  1
  Ga  Ga4  2  0.5000  0.5000  0.1990  1
  Fe  Fe5  2  0.0000  0.5000  0.5000  1
  Fe  Fe6  1  0.0000  0.0000  0.0000  1
]