data_[Si1Hg1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.2094]
_cell_length_b [3.8870]
_cell_length_c [17.5832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SiHgTe3]
_chemical_formula_sum '[Si1 Hg1 Te3]'
_cell_volume [629.4317]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.8099  0.5000  0.5239  1
  Hg  Hg1  1  0.5160  0.5000  0.5717  1
  Te  Te2  1  0.0690  0.5000  0.4533  1
  Te  Te3  1  0.2501  0.0000  0.5264  1
  Te  Te4  1  0.7570  0.0000  0.4247  1
]