data_[Pr12Hg2Te6Se4]
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 [7.6505]
_cell_length_b [13.2051]
_cell_length_c [7.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6HgTe3Se2]
_chemical_formula_sum '[Pr12 Hg2 Te6 Se4]'
_cell_volume [742.0439]
_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  8  0.2477  0.1703  0.2340  1
  Pr  Pr1  4  0.2364  0.5000  0.2296  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.1640  0.5000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Se  Se5  4  0.0000  0.3332  0.0000  1
]