data_BaNaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   8.58
_cell_angle_alpha   94.04
_cell_angle_beta   94.04
_cell_angle_gamma   40.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaW2
_chemical_formula_sum   'Ba1 Na1 W2'
_cell_volume   117.97
_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  0.02  0.0  0.74  1.0
  Na  Na1  1  0.75  0.0  0.08  1.0
  W  W2  1  0.04  0.0  0.71  1.0
  W  W3  1  0.28  0.0  0.3  1.0

data_BaNaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.63
_cell_length_c   8.58
_cell_angle_alpha   94.04
_cell_angle_beta   90.0
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaW2
_chemical_formula_sum   'Ba1 Na1 W2'
_cell_volume   117.97
_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  0.98  0.26  1.0
  Na  Na1  1  0.0  0.25  0.92  1.0
  W  W2  1  0.0  0.72  0.7  1.0
  W  W3  1  0.0  0.96  0.29  1.0

Ba Na W W