data_[Pr20Hg8Te8]
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 [Cmce]
_cell_length_a [16.3167]
_cell_length_b [8.4592]
_cell_length_c [8.2108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(HgTe)2]
_chemical_formula_sum '[Pr20 Hg8 Te8]'
_cell_volume [1133.3172]
_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  16  0.1371  0.1687  0.3404  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.0000  0.1332  0.6270  1
  Te  Te3  8  0.1991  0.0000  0.0000  1
]