data_LaHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.1
_cell_angle_alpha   92.96
_cell_angle_beta   92.96
_cell_angle_gamma   91.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgTe2
_chemical_formula_sum   'La1 Hg1 Te2'
_cell_volume   115.79
_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  La1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.72  0.0  0.0  1.0
  Te  Te2  1  0.71  0.91  0.04  1.0
  Te  Te3  1  0.71  0.09  0.04  1.0

data_LaHgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   91.41
_cell_angle_beta   92.96
_cell_angle_gamma   92.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgTe2
_chemical_formula_sum   'La1 Hg1 Te2'
_cell_volume   115.79
_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
  Hg  Hg1  1  0.0  0.72  0.0  1.0
  Te  Te2  1  0.04  0.71  0.09  1.0
  Te  Te3  1  0.04  0.71  0.91  1.0

La Hg Te Te
La Hg Te Te 0 2 - - o 0 3 - o o 0 1 - o o 1 2 o - o 1 3 o o o 