data_[Y4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1971]
_cell_length_b [8.1460]
_cell_length_c [7.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YHgTe2]
_chemical_formula_sum '[Y4 Hg4 Te8]'
_cell_volume [501.3974]
_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
[
  Y  Y0  4  0.0000  0.3575  0.7500  1
  Hg  Hg1  4  0.0000  0.0512  0.2500  1
  Te  Te2  8  0.1988  0.3405  0.2146  1
]