data_YP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Cl
_chemical_formula_sum   'Y1 P2 Cl1'
_cell_volume   90.41
_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  0.47  0.0  0.0  1.0
  P  P1  1  0.24  0.2  0.07  1.0
  P  P2  1  0.24  0.8  0.07  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_YP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.95
_cell_length_c   5.05
_cell_angle_alpha   119.3
_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   90.41
_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  0.0  0.0  0.47  1.0
  P  P1  1  0.07  0.2  0.44  1.0
  P  P2  1  0.07  0.8  0.03  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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