data_ZrNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiW2
_chemical_formula_sum   'Zr1 Ni1 W2'
_cell_volume   65.82
_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  0.7  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.35  0.26  0.35  1.0
  W  W2  1  0.35  0.74  0.35  1.0

data_ZrNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   118.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiW2
_chemical_formula_sum   'Zr1 Ni1 W2'
_cell_volume   65.82
_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  0.7  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.35  0.35  0.26  1.0
  W  W3  1  0.35  0.35  0.74  1.0

Zr Ni W W