data_[Sn1Hg1Br1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8502]
_cell_length_b [4.3165]
_cell_length_c [6.2168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SnHgBrCl]
_chemical_formula_sum '[Sn1 Hg1 Br1 Cl1]'
_cell_volume [143.0840]
_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
[
  Sn  Sn0  1  0.2592  0.0000  0.1059  1
  Hg  Hg1  1  0.6815  0.5000  0.3417  1
  Br  Br2  1  0.1760  0.0000  0.5002  1
  Cl  Cl3  1  0.9460  0.5000  0.9325  1
]