data_[Pr12Hg6Te2Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8006]
_cell_length_b [4.2700]
_cell_length_c [9.2072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Hg3TeSe2]
_chemical_formula_sum '[Pr12 Hg6 Te2 Se4]'
_cell_volume [737.1966]
_cell_formula_units_Z [2]
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  0.0084  0.0000  0.2534  1
  Pr  Pr1  4  0.1683  0.5000  0.0968  1
  Pr  Pr2  4  0.1714  0.5000  0.5666  1
  Hg  Hg3  4  0.1616  0.0000  0.8252  1
  Hg  Hg4  2  0.0000  0.5000  0.5000  1
  Te  Te5  2  0.0000  0.5000  0.0000  1
  Se  Se6  4  0.1686  0.0000  0.3311  1
]