data_LiFeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   146.57
_cell_angle_beta   130.35
_cell_angle_gamma   61.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeHg
_chemical_formula_sum   'Li1 Fe1 Hg1'
_cell_volume   45.23
_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  Li2  1  0.0  0.0  0.46  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.75  1.0

data_LiFeHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.01
_cell_length_c   4.77
_cell_angle_alpha   114.83
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeHg
_chemical_formula_sum   'Li1 Fe1 Hg1'
_cell_volume   45.23
_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  0.0  0.46  0.46  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.75  0.75  1.0

Li Fe Hg