data_YP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   3.56
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   93.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Cl
_chemical_formula_sum   'Y1 P2 Cl1'
_cell_volume   100.91
_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  0.32  0.78  0.07  1.0
  P  P1  1  0.26  0.78  0.29  1.0
  P  P2  1  0.27  0.0  0.95  1.0
  Cl  Cl0  1  0.37  0.0  0.04  1.0

data_YP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.09
_cell_length_c   6.95
_cell_angle_alpha   93.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Cl
_chemical_formula_sum   'Y1 P2 Cl1'
_cell_volume   100.91
_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  0.22  0.68  0.93  1.0
  P  P1  1  0.0  0.73  0.05  1.0
  P  P2  1  0.22  0.74  0.71  1.0
  Cl  Cl3  1  0.0  0.63  0.96  1.0

Y P P Cl
Y P P Cl 0 3 o + o 0 1 o o o 2 3 o o + 