data_YP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.43
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Au
_chemical_formula_sum   'Y1 P2 Au1'
_cell_volume   73.64
_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
  Y  Y3  1  0.84  0.0  0.27  1.0
  P  P1  1  0.0  0.21  0.27  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.84  0.21  0.0  1.0

data_YP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.43
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Au
_chemical_formula_sum   'Y1 P2 Au1'
_cell_volume   73.64
_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
  Y  Y0  1  0.84  0.0  0.27  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.21  0.27  1.0
  Au  Au3  1  0.84  0.21  0.0  1.0

Y P P Au
Y P P Au 0 2 + o o 0 1 + o o 1 3 - o o 2 3 - o o 