data_[Li8Pm18Tl22]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.7049]
_cell_length_b [22.9213]
_cell_length_c [3.5555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li4Pm9Tl11]
_chemical_formula_sum '[Li8 Pm18 Tl22]'
_cell_volume [1279.8992]
_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
[
  Li  Li0  8  0.1438  0.3999  0.5000  1
  Pm  Pm1  8  0.1129  0.2526  0.5000  1
  Pm  Pm2  8  0.1414  0.0758  0.5000  1
  Pm  Pm3  2  0.0000  0.5000  0.5000  1
  Tl  Tl4  8  0.2494  0.3289  0.0000  1
  Tl  Tl5  4  0.0000  0.1554  0.0000  1
  Tl  Tl6  4  0.0000  0.3613  0.0000  1
  Tl  Tl7  4  0.1983  0.5000  0.0000  1
  Tl  Tl8  2  0.0000  0.0000  0.0000  1
]