data_[Pr24Hg3Bi9Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1359]
_cell_length_b [9.1359]
_cell_length_c [22.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8HgBi3Te4]
_chemical_formula_sum '[Pr24 Hg3 Bi9 Te12]'
_cell_volume [1621.2508]
_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
[
  Pr  Pr0  18  0.0031  0.5015  0.7492  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2512  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  9  0.0000  0.5000  0.0000  1.0
  Te  Te4  9  0.0000  0.5000  0.5000  1.0
  Te  Te5  3  -0.0000  -0.0000  0.5000  1.0
]