data_CoPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   131.82
_cell_angle_beta   131.82
_cell_angle_gamma   70.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt2Au
_chemical_formula_sum   'Co1 Pt2 Au1'
_cell_volume   61.27
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.97  0.0  0.97  1.0
  Pt  Pt3  1  0.0  0.0  0.94  1.0
  Au  Au0  1  0.0  0.97  0.97  1.0

data_CoPt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   4.83
_cell_angle_alpha   114.09
_cell_angle_beta   114.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt2Au
_chemical_formula_sum   'Co1 Pt2 Au1'
_cell_volume   61.27
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.94  0.94  0.94  1.0
  Pt  Pt2  1  0.97  0.0  0.0  1.0
  Au  Au3  1  0.0  0.97  0.0  1.0

Co Pt Pt Au
Co Pt Pt Au 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 