data_[Pm2Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3122]
_cell_length_b [4.0445]
_cell_length_c [7.0272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmTlF6]
_chemical_formula_sum '[Pm2 Tl2 F12]'
_cell_volume [251.9007]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.0000  0.5000  0.5000  1
  F  F2  4  0.0538  0.5000  0.8865  1
  F  F3  4  0.0563  0.0000  0.3902  1
  F  F4  4  0.2423  0.5000  0.7436  1
]