data_TiNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   2.68
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   117.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiW2
_chemical_formula_sum   'Ti1 Ni1 W2'
_cell_volume   59.65
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.68  0.0  0.0  1.0
  W  W2  1  0.89  0.21  0.26  1.0
  W  W3  1  0.89  0.79  0.26  1.0

data_TiNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.12
_cell_length_c   5.16
_cell_angle_alpha   116.85
_cell_angle_beta   100.02
_cell_angle_gamma   99.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiW2
_chemical_formula_sum   'Ti1 Ni1 W2'
_cell_volume   59.65
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  -0.0  0.0  0.68  1.0
  W  W2  1  0.06  0.79  0.68  1.0
  W  W3  1  0.47  0.21  0.1  1.0

Ti Ni W W