data_TiSbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   8.88
_cell_angle_alpha   19.99
_cell_angle_beta   19.99
_cell_angle_gamma   19.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSbW2
_chemical_formula_sum   'Ti1 Sb1 W2'
_cell_volume   71.63
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.05  1.0
  W  W2  1  0.0  0.0  0.6  1.0
  W  W3  1  0.0  0.0  0.51  1.0

data_TiSbW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSbW2
_chemical_formula_sum   'Ti2 Sb2 W4'
_cell_volume   143.26
_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  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.95  1.0
  W  W2  2  0.0  0.0  0.4  1.0
  W  W3  2  0.0  0.0  0.49  1.0

Ti Sb W W