data_CrPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPb3
_chemical_formula_sum   'Cr2 Pb6'
_cell_volume   220.36
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.77  0.72  0.23  1.0
  Cr  Cr1  1  0.77  0.28  0.08  1.0
  Pb  Pb2  1  0.77  0.2  0.08  1.0
  Pb  Pb3  1  0.77  0.8  0.23  1.0
  Pb  Pb4  1  0.41  0.94  0.08  1.0
  Pb  Pb5  1  0.13  0.06  0.23  1.0
  Pb  Pb6  1  0.13  0.94  0.08  1.0
  Pb  Pb7  1  0.41  0.06  0.23  1.0

data_CrPb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.3
_cell_length_b   7.55
_cell_length_c   7.76
_cell_angle_alpha   119.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrPb3
_chemical_formula_sum   'Cr2 Pb6'
_cell_volume   220.36
_cell_formula_units_Z   2
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
  Cr  Cr0  2  0.08  0.28  0.78  1.0
  Pb  Pb1  2  0.08  0.2  0.7  1.0
  Pb  Pb2  2  0.08  0.94  0.08  1.0
  Pb  Pb3  2  0.08  0.94  0.8  1.0

Cr Cr Pb Pb Pb Pb Pb Pb