data_Ba2NaSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   7.31
_cell_angle_alpha   97.86
_cell_angle_beta   97.86
_cell_angle_gamma   34.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaSc
_chemical_formula_sum   'Ba2 Na1 Sc1'
_cell_volume   176.62
_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  0.17  0.0  0.9  1.0
  Ba  Ba1  1  0.31  0.0  0.34  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.74  0.0  0.62  1.0

data_Ba2NaSc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   6.56
_cell_length_c   7.31
_cell_angle_alpha   97.86
_cell_angle_beta   90.0
_cell_angle_gamma   107.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaSc
_chemical_formula_sum   'Ba2 Na1 Sc1'
_cell_volume   176.62
_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  0.69  0.66  1.0
  Ba  Ba1  1  0.0  0.83  0.1  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.26  0.38  1.0

Ba Ba Na Sc