data_ZrTi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.47
_cell_angle_alpha   90.82
_cell_angle_beta   90.82
_cell_angle_gamma   32.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2W
_chemical_formula_sum   'Zr1 Ti2 W1'
_cell_volume   72.45
_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
  Zr  Zr3  1  0.31  0.0  0.1  1.0
  Ti  Ti0  1  0.03  0.0  0.08  1.0
  Ti  Ti1  1  0.07  0.0  0.38  1.0
  W  W2  1  0.68  0.0  0.65  1.0

data_ZrTi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.94
_cell_length_c   5.47
_cell_angle_alpha   90.82
_cell_angle_beta   90.0
_cell_angle_gamma   106.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2W
_chemical_formula_sum   'Zr1 Ti2 W1'
_cell_volume   72.45
_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
  Zr  Zr0  1  0.0  0.69  0.9  1.0
  Ti  Ti1  1  0.0  0.93  0.62  1.0
  Ti  Ti2  1  0.0  0.97  0.92  1.0
  W  W3  1  0.0  0.32  0.35  1.0

Zr Ti Ti W
Zr Ti Ti W 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 - o - 2 3 - o o 3 3 + - o 