data_Li2YHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.02
_cell_angle_alpha   117.6
_cell_angle_beta   117.6
_cell_angle_gamma   47.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YHg
_chemical_formula_sum   'Li2 Y1 Hg1'
_cell_volume   86.18
_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  0.05  0.0  0.02  1.0
  Li  Li2  1  0.33  0.0  0.93  1.0
  Y  Y3  1  0.46  0.0  0.16  1.0
  Hg  Hg0  1  0.58  0.0  0.39  1.0

data_Li2YHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.02
_cell_length_c   5.19
_cell_angle_alpha   117.6
_cell_angle_beta   113.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YHg
_chemical_formula_sum   'Li2 Y1 Hg1'
_cell_volume   86.18
_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  0.02  0.05  1.0
  Li  Li1  1  0.0  0.93  0.33  1.0
  Y  Y2  1  0.0  0.16  0.46  1.0
  Hg  Hg3  1  0.0  0.39  0.58  1.0

Li Li Y Hg