data_[Li1Hg2P1Se4]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5305]
_cell_length_b [6.5820]
_cell_length_c [6.6150]
_cell_angle_alpha [117.6047]
_cell_angle_beta [112.9040]
_cell_angle_gamma [97.9092]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiHg2PSe4]
_chemical_formula_sum '[Li1 Hg2 P1 Se4]'
_cell_volume [213.7748]
_cell_formula_units_Z [1]
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  1  0.9805  0.4889  0.9478  1
  Hg  Hg1  1  0.1694  0.1820  0.3702  1
  Hg  Hg2  1  0.4845  0.9790  0.9796  1
  P  P3  1  0.7456  0.7268  0.4643  1
  Se  Se4  1  0.0890  0.0847  0.7466  1
  Se  Se5  1  0.3851  0.8746  0.2810  1
  Se  Se6  1  0.6540  0.6414  0.7256  1
  Se  Se7  1  0.8789  0.4097  0.2590  1
]