data_Y2NbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   4.56
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbP
_chemical_formula_sum   'Y2 Nb1 P1'
_cell_volume   85.8
_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  Y2  1  0.93  0.0  0.44  1.0
  Y  Y3  1  0.93  0.28  0.0  1.0
  Nb  Nb0  1  0.0  0.28  0.44  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Y2NbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.56
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbP
_chemical_formula_sum   'Y2 Nb1 P1'
_cell_volume   85.8
_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  0.93  0.0  0.44  1.0
  Y  Y1  1  0.93  0.28  0.0  1.0
  Nb  Nb2  1  0.0  0.28  0.44  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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