data_[Ba8Pr4Hg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cmc2_1]
_cell_length_a [4.6411]
_cell_length_b [20.6357]
_cell_length_c [14.1618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2PrHgTe5]
_chemical_formula_sum '[Ba8 Pr4 Hg4 Te20]'
_cell_volume [1356.3087]
_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  4  0.0000  0.1185  0.6885  1
  Ba  Ba1  4  0.0000  0.1275  0.3218  1
  Pr  Pr2  4  0.0000  0.2043  0.0148  1
  Hg  Hg3  4  0.0000  0.4479  0.4414  1
  Te  Te4  4  0.0000  0.0470  0.0601  1
  Te  Te5  4  0.0000  0.2945  0.6695  1
  Te  Te6  4  0.0000  0.3079  0.3583  1
  Te  Te7  4  0.0000  0.3560  0.0080  1
  Te  Te8  4  0.0000  0.4958  0.7616  1
]