data_NbCrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrPb2
_chemical_formula_sum   'Nb1 Cr1 Pb2'
_cell_volume   94.83
_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  Nb1  1  0.64  0.64  0.01  1.0
  Cr  Cr0  1  0.0  0.0  0.89  1.0
  Pb  Pb2  1  0.0  0.0  0.17  1.0
  Pb  Pb3  1  0.64  0.64  0.89  1.0

data_NbCrPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCrPb2
_chemical_formula_sum   'Nb2 Cr2 Pb4'
_cell_volume   189.67
_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  0.14  0.5  0.01  1.0
  Cr  Cr1  2  0.0  0.0  0.89  1.0
  Pb  Pb2  2  0.0  0.0  0.17  1.0
  Pb  Pb3  2  0.14  0.5  0.89  1.0

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