data_[Li4Hg2P2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5632]
_cell_length_b [2.9703]
_cell_length_c [8.7105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2HgP]
_chemical_formula_sum '[Li4 Hg2 P2]'
_cell_volume [140.3646]
_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  2  0.2285  0.5000  0.2133  1
  Li  Li1  2  0.4330  0.5000  0.7864  1
  Hg  Hg2  2  0.0072  0.5000  0.5000  1
  P  P3  2  0.3313  0.0000  0.0003  1
]