data_[Tl2Hg2Br2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6890]
_cell_length_b [4.5543]
_cell_length_c [8.5121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlHgBrF2]
_chemical_formula_sum '[Tl2 Hg2 Br2 F4]'
_cell_volume [255.3782]
_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
[
  Tl  Tl0  2  0.2075  0.7500  0.4118  1
  Hg  Hg1  2  0.1886  0.7500  0.9142  1
  Br  Br2  2  0.4822  0.2500  0.1906  1
  F  F3  2  0.0072  0.2500  0.9028  1
  F  F4  2  0.0101  0.2500  0.3539  1
]