data_BaY2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   7.04
_cell_angle_alpha   96.17
_cell_angle_beta   96.17
_cell_angle_gamma   35.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2Nb
_chemical_formula_sum   'Ba1 Y2 Nb1'
_cell_volume   126.39
_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
  Ba  Ba0  1  0.94  0.0  0.5  1.0
  Y  Y2  1  0.67  0.0  0.39  1.0
  Y  Y3  1  0.21  0.0  0.6  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0

data_BaY2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.6
_cell_length_c   7.04
_cell_angle_alpha   96.17
_cell_angle_beta   90.0
_cell_angle_gamma   107.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2Nb
_chemical_formula_sum   'Ba1 Y2 Nb1'
_cell_volume   126.39
_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
  Ba  Ba0  1  0.0  0.06  0.5  1.0
  Y  Y1  1  0.0  0.33  0.61  1.0
  Y  Y2  1  0.0  0.79  0.4  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

Ba Y Y Nb