data_Cr2GaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.09
_cell_angle_alpha   90.94
_cell_angle_beta   90.94
_cell_angle_gamma   103.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaPb
_chemical_formula_sum   'Cr2 Ga1 Pb1'
_cell_volume   71.69
_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  Cr0  1  0.47  0.92  0.54  1.0
  Cr  Cr1  1  0.47  0.08  0.54  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.03  0.0  0.0  1.0

data_Cr2GaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   103.34
_cell_angle_beta   90.94
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaPb
_chemical_formula_sum   'Cr2 Ga1 Pb1'
_cell_volume   71.69
_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  Cr0  1  0.54  0.47  0.08  1.0
  Cr  Cr1  1  0.54  0.47  0.92  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.03  0.0  1.0

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