data_LaTlHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   4.81
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   103.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlHg2
_chemical_formula_sum   'La1 Tl1 Hg2'
_cell_volume   113.26
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.19  0.0  0.37  1.0
  Hg  Hg0  1  0.23  0.4  0.08  1.0
  Hg  Hg1  1  0.64  0.4  0.67  1.0

data_LaTlHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.81
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   103.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlHg2
_chemical_formula_sum   'La1 Tl1 Hg2'
_cell_volume   113.26
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.19  0.0  0.37  1.0
  Hg  Hg2  1  0.23  0.4  0.08  1.0
  Hg  Hg3  1  0.64  0.4  0.67  1.0

La Tl Hg Hg
La Tl Hg Hg 0 2 o o o 0 1 o o o 0 3 - o - 0 3 - - - 1 2 o o o 1 3 o o o 1 3 o - o 1 3 - o o 2 3 o o - 2 3 - o - 3 3 + o o 