data_CoP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.78
_cell_angle_alpha   102.38
_cell_angle_beta   102.38
_cell_angle_gamma   41.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Au
_chemical_formula_sum   'Co1 P2 Au1'
_cell_volume   61.25
_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  0.67  0.0  0.38  1.0
  P  P2  1  0.22  0.0  0.88  1.0
  P  P3  1  0.75  0.0  0.36  1.0
  Au  Au0  1  0.79  0.0  0.82  1.0

data_CoP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.07
_cell_length_c   5.78
_cell_angle_alpha   102.38
_cell_angle_beta   90.0
_cell_angle_gamma   110.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Au
_chemical_formula_sum   'Co1 P2 Au1'
_cell_volume   61.25
_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  0.33  0.62  1.0
  P  P1  1  0.0  0.25  0.64  1.0
  P  P2  1  0.0  0.78  0.12  1.0
  Au  Au3  1  0.0  0.21  0.18  1.0

Co P P Au
Co P P Au 0 2 o o o 1 3 - o o 