[CIF]
data_Ca2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64376545
_cell_length_b   3.64376545
_cell_length_c   8.14274428
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PbAu
_chemical_formula_sum   'Ca2 Pb1 Au1'
_cell_volume   108.11143285
_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
  Au  Au0  1  0.00000000  0.00000000  0.00000000  1
  Ca  Ca1  1  1.82188273  1.82188273  1.80751359  1
  Ca  Ca2  1  1.82188273  1.82188273  6.33523069  1
  Pb  Pb3  1  0.00000000  0.00000000  4.07137214  1
[/CIF]
