data_[Hg4Te16As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1979]
_cell_length_b [13.1885]
_cell_length_c [14.7285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hg(Te2As)2]
_chemical_formula_sum '[Hg4 Te16 As8]'
_cell_volume [815.4297]
_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
[
  Hg  Hg0  4  0.0000  0.4093  0.2500  1
  Te  Te1  8  0.0000  0.2246  0.6178  1
  Te  Te2  4  0.0000  0.0574  0.2500  1
  Te  Te3  4  0.0000  0.5000  0.0000  1
  As  As4  8  0.0000  0.1396  0.0605  1
]