data_BaNbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   7.27
_cell_angle_alpha   95.58
_cell_angle_beta   95.58
_cell_angle_gamma   42.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbW2
_chemical_formula_sum   'Ba1 Nb1 W2'
_cell_volume   100.99
_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  0.92  0.0  0.69  1.0
  Nb  Nb1  1  0.06  0.0  0.06  1.0
  W  W2  1  0.7  0.0  0.15  1.0
  W  W3  1  0.67  0.0  0.17  1.0

data_BaNbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.56
_cell_length_c   7.27
_cell_angle_alpha   95.58
_cell_angle_beta   90.0
_cell_angle_gamma   111.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbW2
_chemical_formula_sum   'Ba1 Nb1 W2'
_cell_volume   100.99
_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  0.08  0.31  1.0
  Nb  Nb1  1  0.0  0.94  0.94  1.0
  W  W2  1  0.0  0.3  0.85  1.0
  W  W3  1  0.0  0.33  0.83  1.0

Ba Nb W W