data_[Cs2Pr2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [10.1570]
_cell_length_b [4.6778]
_cell_length_c [11.3017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrHgTe3]
_chemical_formula_sum '[Cs2 Pr2 Hg2 Te6]'
_cell_volume [505.5147]
_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
[
  Cs  Cs0  2  0.2254  0.2500  0.2565  1.0
  Pr  Pr1  2  0.3224  0.7500  0.8649  1.0
  Hg  Hg2  2  0.0900  0.2500  0.6221  1.0
  Te  Te3  2  0.1032  0.2500  0.8751  1.0
  Te  Te4  2  0.2160  0.7500  0.5477  1.0
  Te  Te5  2  0.4726  0.7500  0.1583  1.0
]