data_[Tm6Mn45Fe6]
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 [R-3m]
_cell_length_a [8.5550]
_cell_length_b [8.5550]
_cell_length_c [11.5754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Mn15Fe2]
_chemical_formula_sum '[Tm6 Mn45 Fe6]'
_cell_volume [733.6886]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3513  1.0
  Mn  Mn1  18  0.0000  0.2712  0.0000  1.0
  Mn  Mn2  18  0.0132  0.5066  0.8637  1.0
  Mn  Mn3  9  0.0000  0.5000  0.5000  1.0
  Fe  Fe4  6  0.0000  0.0000  0.1011  1.0
]