data_[Hg2Se2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3499]
_cell_length_b [6.2473]
_cell_length_c [7.2987]
_cell_angle_alpha [78.9170]
_cell_angle_beta [89.9564]
_cell_angle_gamma [70.8294]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgSeCl]
_chemical_formula_sum '[Hg2 Se2 Cl2]'
_cell_volume [183.4339]
_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  0.0814  0.3335  0.2942  1.0
  Se  Se1  2  0.4049  0.6969  0.9110  1.0
  Cl  Cl2  2  0.1338  0.2074  0.6494  1.0
]