data_CaSb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   128.69
_cell_angle_beta   128.69
_cell_angle_gamma   75.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Pb
_chemical_formula_sum   'Ca1 Sb2 Pb1'
_cell_volume   117.55
_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
  Sb  Sb2  1  0.0  0.52  0.31  1.0
  Sb  Sb3  1  0.52  0.0  0.31  1.0
  Pb  Pb1  1  0.0  0.0  0.61  1.0

data_CaSb2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   127.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaSb2Pb
_chemical_formula_sum   'Ca2 Sb4 Pb2'
_cell_volume   235.11
_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
  Sb  Sb1  4  0.24  0.24  0.78  1.0
  Pb  Pb2  2  0.0  0.0  0.61  1.0

Ca Sb Sb Pb