data_Ca2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42
_cell_length_b   9.42
_cell_length_c   9.42
_cell_angle_alpha   24.17
_cell_angle_beta   24.17
_cell_angle_gamma   24.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AgPb
_chemical_formula_sum   'Ca2 Ag1 Pb1'
_cell_volume   123.1
_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  0.38  1.0
  Ca  Ca2  1  0.0  0.0  0.04  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.71  1.0

data_Ca2AgPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   3.94
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   103.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2AgPb
_chemical_formula_sum   'Ca4 Ag2 Pb2'
_cell_volume   246.2
_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  0.62  1.0
  Ca  Ca1  2  0.0  0.0  0.96  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.29  1.0

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