data_CaWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaWAu2
_chemical_formula_sum   'Ca1 W1 Au2'
_cell_volume   76.7
_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
  W  W3  1  0.54  0.54  0.0  1.0
  Au  Au0  1  0.54  0.0  0.49  1.0
  Au  Au1  1  0.0  0.54  0.49  1.0

data_CaWAu2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   CaWAu2
_chemical_formula_sum   'Ca2 W2 Au4'
_cell_volume   153.41
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  1.0
  W  W1  2  0.0  0.0  0.54  1.0
  Au  Au2  4  0.5  0.23  0.77  1.0

Ca W Au Au
CaWAu2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Au(1) atoms. There are a spread of Ca(1)-Au(1) bond distances ranging from 2.76-3.13 Å. W(1) is bonded in a 8-coordinate geometry to eight equivalent Au(1) atoms. There are a spread of W(1)-Au(1) bond distances ranging from 2.76-3.13 Å. Au(1) is bonded in a 10-coordinate geometry to four equivalent Ca(1), four equivalent W(1), and two equivalent Au(1) atoms. Both Au(1)-Au(1) bond lengths are 2.98 Å.