data_Cr2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   26.65
_cell_angle_beta   26.65
_cell_angle_gamma   26.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BPb
_chemical_formula_sum   'Cr2 B1 Pb1'
_cell_volume   56.65
_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
  Cr  Cr1  1  0.0  0.0  0.98  1.0
  Cr  Cr2  1  0.0  0.0  0.6  1.0
  B  B0  1  0.0  0.0  0.19  1.0
  Pb  Pb3  1  0.0  0.0  0.87  1.0

data_Cr2BPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   3.15
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2BPb
_chemical_formula_sum   'Cr4 B2 Pb2'
_cell_volume   113.3
_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
  Cr  Cr0  2  -0.0  0.0  0.4  1.0
  Cr  Cr1  2  -0.0  0.0  0.02  1.0
  B  B2  2  -0.0  0.0  0.81  1.0
  Pb  Pb3  2  -0.0  0.0  0.13  1.0

Cr Cr B Pb
Cr Cr B Pb 0 3 o o o 0 2 o o + 1 3 o o o 