data_[La12Pm4Tl4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1781]
_cell_length_b [7.2454]
_cell_length_c [6.1279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PmTlFe]
_chemical_formula_sum '[La12 Pm4 Tl4 Fe4]'
_cell_volume [714.2056]
_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
[
  La  La0  8  0.1181  0.2580  0.1069  1
  La  La1  4  0.1898  0.0000  0.7025  1
  Pm  Pm2  4  0.0000  0.2633  0.5000  1
  Tl  Tl3  4  0.1917  0.5000  0.6898  1
  Fe  Fe4  4  0.0239  0.0000  0.8475  1
]