data_TiZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   2.74
_cell_angle_alpha   90.89
_cell_angle_beta   90.89
_cell_angle_gamma   112.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2W
_chemical_formula_sum   'Ti1 Zn2 W1'
_cell_volume   60.09
_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
  Zn  Zn2  1  0.32  0.98  0.37  1.0
  Zn  Zn3  1  0.32  0.02  0.37  1.0
  W  W1  1  0.72  0.0  0.0  1.0

data_TiZn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   112.01
_cell_angle_beta   90.89
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2W
_chemical_formula_sum   'Ti1 Zn2 W1'
_cell_volume   60.09
_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
  Zn  Zn1  1  0.37  0.32  0.02  1.0
  Zn  Zn2  1  0.37  0.32  0.98  1.0
  W  W3  1  -0.0  0.72  0.0  1.0

Ti Zn Zn W