data_Li2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   135.85
_cell_angle_beta   130.64
_cell_angle_gamma   68.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrHg
_chemical_formula_sum   'Li2 Cr1 Hg1'
_cell_volume   68.98
_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  0.25  1.0
  Li  Li3  1  0.0  0.13  0.08  1.0
  Cr  Cr0  1  0.0  0.0  0.42  1.0
  Hg  Hg1  1  0.92  0.0  0.14  1.0

data_Li2CrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.26
_cell_length_c   5.1
_cell_angle_alpha   114.68
_cell_angle_beta   112.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrHg
_chemical_formula_sum   'Li2 Cr1 Hg1'
_cell_volume   68.98
_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  0.25  0.25  1.0
  Li  Li1  1  0.87  0.95  0.95  1.0
  Cr  Cr2  1  0.0  0.42  0.42  1.0
  Hg  Hg3  1  0.0  0.14  0.23  1.0

Li Li Cr Hg