data_[Pm3Tl6Ni9F36]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4824]
_cell_length_b [7.4824]
_cell_length_c [15.5612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmTl2Ni3F12]
_chemical_formula_sum '[Pm3 Tl6 Ni9 F36]'
_cell_volume [754.4940]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Tl  Tl1  6  0.0000  0.0000  0.3935  1
  Ni  Ni2  9  0.0000  0.5000  0.5000  1
  F  F3  18  0.0486  0.5243  0.3731  1
  F  F4  18  0.0928  0.5464  0.7981  1
]