data_CaAgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   6.11
_cell_angle_alpha   107.93
_cell_angle_beta   107.93
_cell_angle_gamma   44.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgPb2
_chemical_formula_sum   'Ca1 Ag1 Pb2'
_cell_volume   129.1
_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  0.0  1.0
  Ag  Ag0  1  0.25  0.0  0.88  1.0
  Pb  Pb2  1  0.52  0.0  0.79  1.0
  Pb  Pb3  1  0.98  0.0  0.97  1.0

data_CaAgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.68
_cell_length_c   6.11
_cell_angle_alpha   107.93
_cell_angle_beta   90.0
_cell_angle_gamma   112.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgPb2
_chemical_formula_sum   'Ca1 Ag1 Pb2'
_cell_volume   129.1
_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  Ca0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.75  0.12  1.0
  Pb  Pb2  1  0.0  0.02  0.03  1.0
  Pb  Pb3  1  0.0  0.48  0.21  1.0

Ca Ag Pb Pb