data_[Sn2Hg2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2547]
_cell_length_b [6.2862]
_cell_length_c [7.3989]
_cell_angle_alpha [97.3012]
_cell_angle_beta [101.5449]
_cell_angle_gamma [104.6554]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnHgF]
_chemical_formula_sum '[Sn2 Hg2 F2]'
_cell_volume [140.9450]
_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
[
  Sn  Sn0  2  0.3657  0.9429  0.2401  1
  Hg  Hg1  2  0.2895  0.4195  0.1775  1
  F  F2  2  0.2409  0.8120  0.4989  1
]