data_LiLaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   142.56
_cell_angle_beta   142.56
_cell_angle_gamma   53.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaHg
_chemical_formula_sum   'Li1 La1 Hg1'
_cell_volume   77.55
_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  0.77  1.0
  La  La1  1  0.0  0.0  0.59  1.0
  Hg  Hg0  1  0.0  0.0  0.25  1.0

data_LiLaHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   117.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaHg
_chemical_formula_sum   'Li2 La2 Hg2'
_cell_volume   155.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.23  1.0
  La  La1  2  0.0  0.0  0.41  1.0
  Hg  Hg2  2  0.0  0.0  0.75  1.0

Li La Hg