data_CrIn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.37
_cell_angle_alpha   101.26
_cell_angle_beta   101.26
_cell_angle_gamma   118.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Pb
_chemical_formula_sum   'Cr1 In2 Pb1'
_cell_volume   90.28
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.82  0.48  0.56  1.0
  In  In2  1  0.82  0.52  0.56  1.0
  Pb  Pb3  1  0.93  0.0  0.0  1.0

data_CrIn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.52
_cell_length_c   5.76
_cell_angle_alpha   114.82
_cell_angle_beta   101.26
_cell_angle_gamma   101.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Pb
_chemical_formula_sum   'Cr1 In2 Pb1'
_cell_volume   90.28
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.03  0.48  0.29  1.0
  In  In2  1  0.08  0.52  0.34  1.0
  Pb  Pb3  1  -0.0  0.0  0.93  1.0

Cr In In Pb
Cr In In Pb 0 3 - o o 1 2 o o o 