data_Ti5W4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   93.0
_cell_angle_beta   93.0
_cell_angle_gamma   153.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5W4
_chemical_formula_sum   'Ti5 W4'
_cell_volume   147.18
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.21  0.21  0.0  1.0
  Ti  Ti2  1  0.4  0.6  0.6  1.0
  Ti  Ti3  1  0.6  0.4  0.6  1.0
  Ti  Ti4  1  0.6  0.6  0.6  1.0
  W  W5  1  0.0  0.23  0.0  1.0
  W  W6  1  0.0  0.37  0.0  1.0
  W  W7  1  0.23  0.0  0.0  1.0
  W  W8  1  0.37  0.0  0.0  1.0

data_Ti5W4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.19
_cell_length_b   13.58
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti5W4
_chemical_formula_sum   'Ti10 W8'
_cell_volume   294.36
_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
  Ti  Ti0  4  0.1  0.1  0.6  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  Ti  Ti2  2  0.29  0.5  -0.0  1.0
  Ti  Ti3  2  0.5  0.5  0.6  1.0
  W  W4  4  0.31  0.31  0.0  1.0
  W  W5  4  0.38  0.38  -0.0  1.0

Ti Ti Ti Ti Ti W W W W