data_Sr2YNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   5.42
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YNb
_chemical_formula_sum   'Sr2 Y1 Nb1'
_cell_volume   131.77
_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
  Sr  Sr1  1  0.73  0.71  0.15  1.0
  Sr  Sr2  1  0.73  0.71  0.88  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.0  0.0  0.52  1.0

data_Sr2YNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.42
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YNb
_chemical_formula_sum   'Sr2 Y1 Nb1'
_cell_volume   131.77
_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
  Sr  Sr0  1  0.73  0.71  0.15  1.0
  Sr  Sr1  1  0.73  0.71  0.88  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.52  1.0

Sr Sr Y Nb
Sr Sr Y Nb 0 2 + + o 0 1 o o - 0 3 + + o 0 3 o + o 1 2 + + + 1 3 + + o 1 3 o + o 2 3 o o o 2 3 o o - 3 3 + o o 