data_Ba2LaNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   3.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaNb
_chemical_formula_sum   'Ba2 La1 Nb1'
_cell_volume   147.83
_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  0.76  0.95  0.78  1.0
  Ba  Ba1  1  0.76  0.05  0.78  1.0
  La  La2  1  0.52  0.0  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

data_Ba2LaNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   118.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaNb
_chemical_formula_sum   'Ba2 La1 Nb1'
_cell_volume   147.83
_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  0.78  0.76  0.05  1.0
  Ba  Ba1  1  0.78  0.76  0.95  1.0
  La  La2  1  -0.0  0.52  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

Ba Ba La Nb