data_Ba2W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.94
_cell_length_b   13.94
_cell_length_c   13.94
_cell_angle_alpha   13.3
_cell_angle_beta   13.3
_cell_angle_gamma   13.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2W3
_chemical_formula_sum   'Ba2 W3'
_cell_volume   124.63
_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  0.0  0.76  1.0
  Ba  Ba1  1  0.0  0.0  0.67  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.07  1.0
  W  W4  1  0.0  0.0  0.36  1.0

data_Ba2W3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   3.23
_cell_length_c   13.94
_cell_angle_alpha   90.0
_cell_angle_beta   97.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2W3
_chemical_formula_sum   'Ba4 W6'
_cell_volume   249.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.24  1.0
  Ba  Ba1  2  0.0  0.0  0.33  1.0
  W  W2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.64  1.0
  W  W4  2  0.0  0.0  0.93  1.0

Ba Ba W W W