data_[Fe1Hg2Te1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5744]
_cell_length_b [5.6081]
_cell_length_c [5.6817]
_cell_angle_alpha [91.3374]
_cell_angle_beta [118.7071]
_cell_angle_gamma [119.1961]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeHg2TeO6]
_chemical_formula_sum '[Fe1 Hg2 Te1 O6]'
_cell_volume [128.0644]
_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
[
  Fe  Fe0  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg1  2  0.0048  0.2533  0.2501  1.0
  Te  Te2  1  0.5000  0.0000  0.5000  1.0
  O  O3  2  0.0307  0.8644  0.2494  1.0
  O  O4  2  0.3954  0.7639  0.7315  1.0
  O  O5  2  0.4051  0.6651  0.2580  1.0
]