data_YPPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.34
_cell_length_b   6.83
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPb3
_chemical_formula_sum   'Y4 P4 Pb12'
_cell_volume   588.42
_cell_formula_units_Z   4
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  Y16  1  0.03  0.59  0.9  1.0
  Y  Y17  1  0.3  0.25  0.7  1.0
  Y  Y18  1  0.3  0.0  0.9  1.0
  Y  Y19  1  0.03  0.83  0.7  1.0
  P  P0  1  0.64  0.12  0.0  1.0
  P  P1  1  0.69  0.71  0.8  1.0
  P  P2  1  0.69  0.71  0.0  1.0
  P  P3  1  0.64  0.12  0.8  1.0
  Pb  Pb4  1  0.16  0.03  0.9  1.0
  Pb  Pb5  1  0.18  0.8  0.7  1.0
  Pb  Pb6  1  0.18  0.62  0.9  1.0
  Pb  Pb7  1  0.16  0.22  0.7  1.0
  Pb  Pb8  1  0.15  0.97  0.9  1.0
  Pb  Pb9  1  0.18  0.86  0.7  1.0
  Pb  Pb10  1  0.18  0.55  0.9  1.0
  Pb  Pb11  1  0.15  0.28  0.7  1.0
  Pb  Pb12  1  0.76  0.12  0.0  1.0
  Pb  Pb13  1  0.58  0.71  0.8  1.0
  Pb  Pb14  1  0.58  0.71  0.0  1.0
  Pb  Pb15  1  0.76  0.12  0.8  1.0

data_YPPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.83
_cell_length_b   7.6
_cell_length_c   11.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPb3
_chemical_formula_sum   'Y4 P4 Pb12'
_cell_volume   588.42
_cell_formula_units_Z   4
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  0.9  0.3  1.0
  Y  Y1  1  0.25  0.7  0.3  1.0
  Y  Y2  1  0.59  0.9  0.03  1.0
  Y  Y3  1  0.83  0.7  0.03  1.0
  P  P4  1  0.12  0.0  0.64  1.0
  P  P5  1  0.12  0.8  0.64  1.0
  P  P6  1  0.71  0.0  0.69  1.0
  P  P7  1  0.71  0.8  0.69  1.0
  Pb  Pb8  1  0.03  0.9  0.16  1.0
  Pb  Pb9  1  0.12  0.0  0.76  1.0
  Pb  Pb10  1  0.12  0.8  0.76  1.0
  Pb  Pb11  1  0.22  0.7  0.16  1.0
  Pb  Pb12  1  0.28  0.7  0.15  1.0
  Pb  Pb13  1  0.55  0.9  0.18  1.0
  Pb  Pb14  1  0.62  0.9  0.18  1.0
  Pb  Pb15  1  0.71  0.0  0.58  1.0
  Pb  Pb16  1  0.71  0.8  0.58  1.0
  Pb  Pb17  1  0.8  0.7  0.18  1.0
  Pb  Pb18  1  0.86  0.7  0.18  1.0
  Pb  Pb19  1  0.97  0.9  0.15  1.0

Y Y Y Y P P P P Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb