data_InTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   5.27
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTePb2
_chemical_formula_sum   'In1 Te1 Pb2'
_cell_volume   123.6
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.06  0.0  0.84  1.0
  Pb  Pb1  1  0.0  0.64  0.84  1.0
  Pb  Pb2  1  0.06  0.64  0.0  1.0

data_InTePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   5.27
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTePb2
_chemical_formula_sum   'In1 Te1 Pb2'
_cell_volume   123.6
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.06  0.0  0.84  1.0
  Pb  Pb2  1  -0.0  0.64  0.84  1.0
  Pb  Pb3  1  0.06  0.64  0.0  1.0

In Te Pb Pb
In Te Pb Pb 0 1 o o - 2 3 o o + 