data_TiSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.62
_cell_angle_alpha   99.2
_cell_angle_beta   99.2
_cell_angle_gamma   40.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2W
_chemical_formula_sum   'Ti1 Si2 W1'
_cell_volume   60.68
_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  Ti2  1  0.0  0.0  0.0  1.0
  Si  Si0  1  0.24  0.0  0.3  1.0
  Si  Si1  1  0.48  0.0  0.26  1.0
  W  W3  1  0.86  0.0  0.28  1.0

data_TiSi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.53
_cell_length_c   4.62
_cell_angle_alpha   99.2
_cell_angle_beta   90.0
_cell_angle_gamma   110.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2W
_chemical_formula_sum   'Ti1 Si2 W1'
_cell_volume   60.68
_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
  Si  Si1  1  0.0  0.52  0.74  1.0
  Si  Si2  1  0.0  0.76  0.7  1.0
  W  W3  1  0.0  0.14  0.72  1.0

Ti Si Si W
Ti Si Si W 0 3 - o o 0 1 o o o 1 2 o o o 1 3 - o o 2 3 o o o 