data_[Ba8Pm4Tl4Hg24]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5958]
_cell_length_b [11.5958]
_cell_length_c [11.5958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ba2PmTlHg6]
_chemical_formula_sum '[Ba8 Pm4 Tl4 Hg24]'
_cell_volume [1559.2172]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.2500  1
  Pm  Pm1  4  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  24  0.0000  0.0000  0.2467  1
]