data_CaAg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   127.18
_cell_angle_beta   127.18
_cell_angle_gamma   77.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAg2Pb
_chemical_formula_sum   'Ca1 Ag2 Pb1'
_cell_volume   94.18
_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  Ca2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.16  1.0
  Ag  Ag1  1  0.0  0.38  0.08  1.0
  Pb  Pb3  1  0.38  0.0  0.08  1.0

data_CaAg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.35
_cell_angle_alpha   116.41
_cell_angle_beta   116.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAg2Pb
_chemical_formula_sum   'Ca1 Ag2 Pb1'
_cell_volume   94.18
_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
  Ag  Ag1  1  0.3  0.38  0.3  1.0
  Ag  Ag2  1  0.84  0.0  0.84  1.0
  Pb  Pb3  1  0.92  0.0  0.3  1.0

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