data_[Tm4Pa4Fe6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2814]
_cell_length_b [3.6142]
_cell_length_c [6.0291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Pa2Fe3]
_chemical_formula_sum '[Tm4 Pa4 Fe6]'
_cell_volume [288.8004]
_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  4  0.1464  0.5000  0.8514  1
  Pa  Pa1  4  0.1029  0.0000  0.3338  1
  Fe  Fe2  4  0.2169  0.5000  0.3633  1
  Fe  Fe3  2  0.0000  0.0000  0.0000  1
]