data_CrInPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   37.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInPb2
_chemical_formula_sum   'Cr1 In1 Pb2'
_cell_volume   95.17
_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  0.96  1.0
  In  In1  1  0.33  0.0  0.43  1.0
  Pb  Pb2  1  0.0  0.0  0.85  1.0
  Pb  Pb3  1  0.33  0.0  0.47  1.0

data_CrInPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.66
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInPb2
_chemical_formula_sum   'Cr1 In1 Pb2'
_cell_volume   95.17
_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  0.04  0.0  0.04  1.0
  In  In1  1  0.57  0.33  0.57  1.0
  Pb  Pb2  1  0.15  0.0  0.15  1.0
  Pb  Pb3  1  0.53  0.33  0.53  1.0

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