data_[In2Hg4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3960]
_cell_length_b [4.4463]
_cell_length_c [12.6226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InHg2Te]
_chemical_formula_sum '[In2 Hg4 Te2]'
_cell_volume [243.8859]
_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
[
  In  In0  2  0.2963  0.2500  0.6135  1.0
  Hg  Hg1  2  0.0591  0.7500  0.1102  1.0
  Hg  Hg2  2  0.4335  0.7500  0.8761  1.0
  Te  Te3  2  0.1934  0.2500  0.3618  1.0
]