data_[Li14Pm6Tl8]
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 [C2/m]
_cell_length_a [16.9721]
_cell_length_b [4.9445]
_cell_length_c [8.9041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Pm3Tl4]
_chemical_formula_sum '[Li14 Pm6 Tl8]'
_cell_volume [642.7380]
_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  4  0.0104  0.5000  0.1766  1
  Li  Li1  4  0.1455  0.0000  0.9596  1
  Li  Li2  4  0.1569  0.5000  0.5053  1
  Li  Li3  2  0.0000  0.0000  0.0000  1
  Pm  Pm4  4  0.2311  0.5000  0.2303  1
  Pm  Pm5  2  0.0000  0.0000  0.5000  1
  Tl  Tl6  4  0.1390  0.0000  0.3334  1
  Tl  Tl7  4  0.1441  0.5000  0.7969  1
]