data_Ba2NaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.08
_cell_angle_alpha   106.89
_cell_angle_beta   106.89
_cell_angle_gamma   32.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaW
_chemical_formula_sum   'Ba2 Na1 W1'
_cell_volume   146.14
_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  0.4  0.0  0.44  1.0
  Ba  Ba1  1  0.86  0.0  0.14  1.0
  Na  Na2  1  0.13  0.0  0.87  1.0
  W  W3  1  0.64  0.0  0.23  1.0

data_Ba2NaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   6.08
_cell_length_c   6.87
_cell_angle_alpha   106.89
_cell_angle_beta   106.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaW
_chemical_formula_sum   'Ba2 Na1 W1'
_cell_volume   146.14
_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  0.14  0.86  1.0
  Ba  Ba1  1  0.0  0.44  0.4  1.0
  Na  Na2  1  0.0  0.87  0.13  1.0
  W  W3  1  0.0  0.23  0.64  1.0

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