data_Li2YHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   4.42
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   105.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YHg
_chemical_formula_sum   'Li2 Y1 Hg1'
_cell_volume   95.83
_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  Li1  1  0.65  0.0  0.12  1.0
  Li  Li2  1  0.48  0.21  0.06  1.0
  Y  Y3  1  0.74  0.0  0.33  1.0
  Hg  Hg0  1  0.95  0.21  0.56  1.0

data_Li2YHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.42
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   105.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YHg
_chemical_formula_sum   'Li2 Y1 Hg1'
_cell_volume   95.83
_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  0.48  0.21  0.06  1.0
  Li  Li1  1  0.65  0.0  0.12  1.0
  Y  Y2  1  0.74  0.0  0.33  1.0
  Hg  Hg3  1  0.95  0.21  0.56  1.0

Li Li Y Hg
Li Li Y Hg 0 1 o o o 0 2 o o o 2 3 o o o 