data_CaAgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12
_cell_length_b   10.12
_cell_length_c   10.12
_cell_angle_alpha   20.93
_cell_angle_beta   20.93
_cell_angle_gamma   20.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgPb2
_chemical_formula_sum   'Ca1 Ag1 Pb2'
_cell_volume   115.9
_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  Ca1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.84  1.0
  Pb  Pb2  1  0.0  0.0  0.17  1.0
  Pb  Pb3  1  0.0  0.0  0.52  1.0

data_CaAgPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   3.68
_cell_length_c   10.12
_cell_angle_alpha   90.0
_cell_angle_beta   102.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaAgPb2
_chemical_formula_sum   'Ca2 Ag2 Pb4'
_cell_volume   231.8
_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
  Ag  Ag1  2  0.0  0.0  0.16  1.0
  Pb  Pb2  2  0.0  0.0  0.48  1.0
  Pb  Pb3  2  0.0  0.0  0.83  1.0

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