data_CaSb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.7
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Pb
_chemical_formula_sum   'Ca1 Sb2 Pb1'
_cell_volume   130.77
_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  0.17  0.0  0.28  1.0
  Sb  Sb2  1  0.33  0.0  0.55  1.0
  Sb  Sb3  1  0.34  0.85  0.64  1.0
  Pb  Pb1  1  0.99  0.85  0.92  1.0

data_CaSb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.7
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Pb
_chemical_formula_sum   'Ca1 Sb2 Pb1'
_cell_volume   130.77
_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  0.17  0.0  0.28  1.0
  Sb  Sb1  1  0.33  0.0  0.55  1.0
  Sb  Sb2  1  0.34  0.85  0.64  1.0
  Pb  Pb3  1  0.99  0.85  0.92  1.0

Ca Sb Sb Pb
Ca Sb Sb Pb 0 1 o o o 0 3 - - - 1 2 o - o 2 3 o o o 2 3 - o o 