data_NbTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   124.49
_cell_angle_beta   124.49
_cell_angle_gamma   82.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTePb2
_chemical_formula_sum   'Nb1 Te1 Pb2'
_cell_volume   106.42
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.54  0.06  1.0
  Pb  Pb1  1  0.54  0.0  0.06  1.0
  Pb  Pb2  1  0.0  0.0  0.11  1.0

data_NbTePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.46
_cell_angle_alpha   117.75
_cell_angle_beta   117.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTePb2
_chemical_formula_sum   'Nb1 Te1 Pb2'
_cell_volume   106.42
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.51  0.06  0.51  1.0
  Pb  Pb2  1  0.06  0.51  0.51  1.0
  Pb  Pb3  1  0.11  0.11  0.11  1.0

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