data_[Tm4Mn20Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9026]
_cell_length_b [4.7649]
_cell_length_c [9.7801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmMn5Fe]
_chemical_formula_sum '[Tm4 Mn20 Fe4]'
_cell_volume [368.2645]
_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  4  0.2464  0.2500  0.0647  1
  Mn  Mn1  8  0.0741  0.0144  0.3073  1
  Mn  Mn2  4  0.0526  0.7500  0.0876  1
  Mn  Mn3  4  0.0836  0.2500  0.5287  1
  Mn  Mn4  4  0.1913  0.2500  0.7599  1
  Fe  Fe5  4  0.1386  0.7500  0.8521  1
]