data_HfTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   4.02
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe2Pb
_chemical_formula_sum   'Hf1 Te2 Pb1'
_cell_volume   110.81
_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
  Hf  Hf0  1  0.0  0.0  0.37  1.0
  Te  Te2  1  0.0  0.0  0.18  1.0
  Te  Te3  1  0.81  0.01  0.33  1.0
  Pb  Pb1  1  0.81  0.01  0.57  1.0

data_HfTe2Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.61
_cell_length_b   4.02
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfTe2Pb
_chemical_formula_sum   'Hf1 Te2 Pb1'
_cell_volume   110.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Hf  Hf0  1  0.0  0.0  0.37  1.0
  Te  Te1  1  0.0  0.0  0.18  1.0
  Te  Te2  1  0.81  0.0  0.33  1.0
  Pb  Pb3  1  0.81  0.0  0.57  1.0

Hf Te Te Pb
Hf Te Te Pb 0 2 - o o 0 1 o o o 0 3 - o o 1 2 - o o 2 3 o o o 