data_[Cs4Dy4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8342]
_cell_length_b [4.5303]
_cell_length_c [16.9186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsDyHgTe3]
_chemical_formula_sum '[Cs4 Dy4 Hg4 Te12]'
_cell_volume [907.0416]
_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
[
  Cs  Cs0  4  0.2488  0.2500  0.9988  1
  Dy  Dy1  4  0.0044  0.7500  0.2495  1
  Hg  Hg2  4  0.2470  0.7500  0.7949  1
  Te  Te3  4  0.0385  0.7500  0.8745  1
  Te  Te4  4  0.0441  0.2500  0.3740  1
  Te  Te5  4  0.2456  0.2500  0.6856  1
]