data_[Li4Hg2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3410]
_cell_length_b [4.6321]
_cell_length_c [7.4308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2HgSe2]
_chemical_formula_sum '[Li4 Hg2 Se4]'
_cell_volume [237.1769]
_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
[
  Li  Li0  4  0.1906  0.0000  0.8564  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Se  Se2  4  0.1921  0.0000  0.2150  1.0
]