data_CaSn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   5.49
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Pb
_chemical_formula_sum   'Ca1 Sn2 Pb1'
_cell_volume   118.43
_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
  Sn  Sn2  1  0.47  0.74  0.9  1.0
  Sn  Sn3  1  0.83  0.74  0.5  1.0
  Pb  Pb1  1  0.65  0.0  0.2  1.0

data_CaSn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.49
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Pb
_chemical_formula_sum   'Ca1 Sn2 Pb1'
_cell_volume   118.43
_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
  Sn  Sn1  1  0.47  0.74  0.9  1.0
  Sn  Sn2  1  0.83  0.74  0.5  1.0
  Pb  Pb3  1  0.65  0.0  0.2  1.0

Ca Sn Sn Pb
Ca Sn Sn Pb 0 3 - o o 0 1 o - - 0 1 - - - 1 3 o + + 1 2 o o o 2 3 o + o 