data_NbTePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   146.41
_cell_angle_beta   146.41
_cell_angle_gamma   48.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTePb
_chemical_formula_sum   'Nb1 Te1 Pb1'
_cell_volume   73.27
_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  0.12  1.0
  Te  Te2  1  0.0  0.0  0.17  1.0
  Pb  Pb1  1  0.0  0.0  0.41  1.0

data_NbTePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTePb
_chemical_formula_sum   'Nb2 Te2 Pb2'
_cell_volume   146.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.0  0.12  1.0
  Te  Te1  2  0.17  0.0  0.17  1.0
  Pb  Pb2  2  0.41  0.0  0.41  1.0

Nb Te Pb