data_BaNaY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   6.03
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaY2
_chemical_formula_sum   'Ba1 Na1 Y2'
_cell_volume   150.69
_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  0.97  0.02  0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.0  0.02  0.18  1.0
  Y  Y3  1  0.97  0.0  0.18  1.0

data_BaNaY2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   6.03
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaY2
_chemical_formula_sum   'Ba1 Na1 Y2'
_cell_volume   150.69
_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  0.97  0.02  -0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  -0.0  0.02  0.18  1.0
  Y  Y3  1  0.97  0.0  0.18  1.0

Ba Na Y Y
Ba Na Y Y 0 1 + o o 2 3 - o o 