data_Ba2TiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12
_cell_length_b   10.12
_cell_length_c   10.12
_cell_angle_alpha   161.13
_cell_angle_beta   156.3
_cell_angle_gamma   30.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiW
_chemical_formula_sum   'Ba2 Ti1 W1'
_cell_volume   134.65
_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  0.66  0.0  0.78  1.0
  Ba  Ba1  1  0.0  0.08  0.99  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.76  1.0

data_Ba2TiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.16
_cell_length_c   10.12
_cell_angle_alpha   101.85
_cell_angle_beta   99.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiW
_chemical_formula_sum   'Ba2 Ti1 W1'
_cell_volume   134.65
_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  0.78  0.12  1.0
  Ba  Ba1  1  0.92  0.91  0.91  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.76  0.76  1.0

Ba Ba Ti W