data_HgBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.59
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiTe2
_chemical_formula_sum   'Hg1 Bi1 Te2'
_cell_volume   129.9
_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
  Hg  Hg1  1  0.0  0.0  0.5  1.0
  Bi  Bi0  1  0.21  0.29  0.32  1.0
  Te  Te2  1  0.21  0.29  0.74  1.0
  Te  Te3  1  0.0  0.0  0.42  1.0

data_HgBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.59
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiTe2
_chemical_formula_sum   'Hg1 Bi1 Te2'
_cell_volume   129.9
_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
  Hg  Hg0  1  0.0  0.0  0.5  1.0
  Bi  Bi1  1  0.21  0.29  0.32  1.0
  Te  Te2  1  0.0  0.0  0.42  1.0
  Te  Te3  1  0.21  0.29  0.74  1.0

Hg Bi Te Te
Hg Bi Te Te 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 