data_[Li4Pm24Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.8464]
_cell_length_b [9.8695]
_cell_length_c [10.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li(Pm3Fe)2]
_chemical_formula_sum '[Li4 Pm24 Fe8]'
_cell_volume [988.9650]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Pm  Pm2  8  0.0000  0.3013  0.3094  1
  Pm  Pm3  8  0.1854  0.2902  0.0000  1
  Pm  Pm4  8  0.2103  0.0000  0.2185  1
  Fe  Fe5  4  0.0000  0.5000  0.1068  1
  Fe  Fe6  4  0.1140  0.5000  0.5000  1
]