data_[Hg3Te2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5592]
_cell_length_b [20.0571]
_cell_length_c [6.2566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Hg3Te2F2]
_chemical_formula_sum '[Hg3 Te2 F2]'
_cell_volume [572.1241]
_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
[
  Hg  Hg0  2  0.5000  0.0861  0.3541  1
  Hg  Hg1  1  0.5000  0.0000  0.7168  1
  Te  Te2  2  0.5000  0.1261  0.9181  1
  F  F3  2  0.0000  0.1226  0.9239  1
]