data_[Hg10Se14]
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
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [9.0462]
_cell_length_b [9.0462]
_cell_length_c [9.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Hg5Se7]
_chemical_formula_sum '[Hg10 Se14]'
_cell_volume [778.5967]
_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  8  0.1933  0.1933  0.9229  1
  Hg  Hg1  2  0.0000  0.0000  0.7675  1
  Se  Se2  8  0.0000  0.2913  0.3575  1
  Se  Se3  4  0.0000  0.5000  0.2037  1
  Se  Se4  2  0.0000  0.0000  0.5034  1
]