data_[Dy6Hg2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmma]
_cell_length_a [6.3249]
_cell_length_b [4.4658]
_cell_length_c [11.1044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Dy3HgTe]
_chemical_formula_sum '[Dy6 Hg2 Te2]'
_cell_volume [313.6565]
_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
[
  Dy  Dy0  2  0.0000  0.5000  0.5000  1
  Dy  Dy1  2  0.2500  0.0000  0.2923  1
  Dy  Dy2  2  0.2500  0.5000  0.8208  1
  Hg  Hg3  2  0.2500  0.0000  0.6408  1
  Te  Te4  2  0.2500  0.5000  0.1022  1
]