data_ZrTiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiW2
_chemical_formula_sum   'Zr1 Ti1 W2'
_cell_volume   71.34
_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  0.72  0.0  0.0  1.0
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.36  0.38  0.38  1.0
  W  W2  1  0.36  0.62  0.38  1.0

data_ZrTiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.44
_cell_length_c   5.49
_cell_angle_alpha   119.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiW2
_chemical_formula_sum   'Zr1 Ti1 W2'
_cell_volume   71.34
_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  0.0  0.72  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.38  0.38  0.74  1.0
  W  W3  1  0.38  0.62  0.98  1.0

Zr Ti W W