data_[Ba4Pm2Tl2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [I-4m2]
_cell_length_a [6.0918]
_cell_length_b [6.0918]
_cell_length_c [12.4236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Ba2PmTlF8]
_chemical_formula_sum '[Ba4 Pm2 Tl2 F16]'
_cell_volume [461.0477]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Ba  Ba1  2  0.0000  0.5000  0.2500  1
  Pm  Pm2  2  0.0000  0.5000  0.7500  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
  F  F4  16  0.2211  0.2624  0.8608  1
]