data_BaNaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   4.76
_cell_angle_alpha   107.09
_cell_angle_beta   107.09
_cell_angle_gamma   29.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaW2
_chemical_formula_sum   'Ba1 Na1 W2'
_cell_volume   88.46
_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  0.42  0.0  0.27  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.76  0.0  0.0  1.0
  W  W3  1  0.07  0.0  0.53  1.0

data_BaNaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.76
_cell_length_c   6.34
_cell_angle_alpha   107.09
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaW2
_chemical_formula_sum   'Ba1 Na1 W2'
_cell_volume   88.46
_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  0.27  0.42  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.76  1.0
  W  W3  1  0.0  0.53  0.07  1.0

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