data_ZrSiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.48
_cell_angle_alpha   114.38
_cell_angle_beta   114.38
_cell_angle_gamma   37.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiW2
_chemical_formula_sum   'Zr1 Si1 W2'
_cell_volume   67.17
_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  0.05  0.0  0.04  1.0
  Si  Si0  1  0.86  0.0  0.93  1.0
  W  W1  1  0.96  0.0  0.03  1.0
  W  W2  1  0.14  0.0  0.08  1.0

data_ZrSiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.48
_cell_length_c   5.25
_cell_angle_alpha   114.38
_cell_angle_beta   108.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiW2
_chemical_formula_sum   'Zr1 Si1 W2'
_cell_volume   67.17
_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  0.04  0.05  1.0
  Si  Si1  1  0.0  0.93  0.86  1.0
  W  W2  1  0.0  0.03  0.96  1.0
  W  W3  1  0.0  0.08  0.14  1.0

Zr Si W W