data_YP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   4.86
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   91.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Au
_chemical_formula_sum   'Y1 P2 Au1'
_cell_volume   83.98
_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  0.43  1.0
  P  P1  1  0.0  0.0  0.06  1.0
  P  P2  1  0.36  0.43  0.18  1.0
  Au  Au0  1  0.48  0.43  0.96  1.0

data_YP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.43
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Au
_chemical_formula_sum   'Y1 P2 Au1'
_cell_volume   83.98
_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  0.16  0.57  0.0  1.0
  P  P1  1  0.64  0.82  0.57  1.0
  P  P2  1  1.0  0.94  0.0  1.0
  Au  Au3  1  0.52  0.04  0.57  1.0

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