data_Ca2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PAu
_chemical_formula_sum   'Ca2 P1 Au1'
_cell_volume   105.78
_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  0.24  1.0
  Ca  Ca2  1  0.12  0.12  0.14  1.0
  P  P3  1  0.0  0.0  0.27  1.0
  Au  Au0  1  0.12  0.12  0.06  1.0

data_Ca2PAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2PAu
_chemical_formula_sum   'Ca4 P2 Au2'
_cell_volume   211.55
_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  0.24  1.0
  Ca  Ca1  2  0.12  0.0  0.14  1.0
  P  P2  2  0.0  0.0  0.27  1.0
  Au  Au3  2  0.12  0.0  0.06  1.0

Ca Ca P Au
Ca Ca P Au 0 2 o o o 1 3 o o o 
CaAuCaP is Cubic alpha N2-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two calcium phosphorus molecules and two CaAu clusters. In each CaAu cluster, Ca(2) is bonded in a single-bond geometry to one Au(1) atom. The Ca(2)-Au(1) bond length is 0.49 Å. Au(1) is bonded in a single-bond geometry to one Ca(2) atom.