data_CaInPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   133.42
_cell_angle_beta   133.42
_cell_angle_gamma   67.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInPb2
_chemical_formula_sum   'Ca1 In1 Pb2'
_cell_volume   119.07
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.08  1.0
  Pb  Pb2  1  0.42  0.0  0.54  1.0
  Pb  Pb3  1  0.0  0.42  0.54  1.0

data_CaInPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   124.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaInPb2
_chemical_formula_sum   'Ca2 In2 Pb4'
_cell_volume   238.13
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.42  0.5  0.92  1.0
  Pb  Pb2  4  0.17  0.29  0.88  1.0

Ca In Pb Pb