data_[Pr12Hg4Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9393]
_cell_length_b [4.7086]
_cell_length_c [17.6215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr3HgTe]
_chemical_formula_sum '[Pr12 Hg4 Te4]'
_cell_volume [658.7528]
_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
[
  Pr  Pr0  4  0.0129  0.2500  0.6114  1
  Pr  Pr1  4  0.1287  0.7500  0.9339  1
  Pr  Pr2  4  0.1810  0.2500  0.2314  1
  Hg  Hg3  4  0.0995  0.2500  0.8041  1
  Te  Te4  4  0.2259  0.7500  0.5385  1
]