data_[Hg10Se6F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2596]
_cell_length_b [7.3324]
_cell_length_c [11.2095]
_cell_angle_alpha [90.1105]
_cell_angle_beta [106.6905]
_cell_angle_gamma [97.3630]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg5Se3F2]
_chemical_formula_sum '[Hg10 Se6 F4]'
_cell_volume [566.3673]
_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
[
  Hg  Hg0  2  0.0360  0.6900  0.1244  1
  Hg  Hg1  2  0.2210  0.6732  0.5004  1
  Hg  Hg2  2  0.2345  0.1616  0.3207  1
  Hg  Hg3  2  0.3828  0.6548  0.8668  1
  Hg  Hg4  2  0.4904  0.0841  0.8252  1
  Se  Se5  2  0.0215  0.8569  0.3267  1
  Se  Se6  2  0.0498  0.6962  0.8937  1
  Se  Se7  2  0.4987  0.5686  0.6733  1
  F  F8  2  0.0646  0.3633  0.4194  1
  F  F9  2  0.3435  0.3360  0.9603  1
]