data_ZrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   148.04
_cell_angle_beta   122.14
_cell_angle_gamma   67.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrW2
_chemical_formula_sum   'Zr1 W2'
_cell_volume   54.31
_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  Zr2  1  0.0  0.0  0.0  1.0
  W  W0  1  0.0  0.0  0.77  1.0
  W  W1  1  0.0  0.0  0.49  1.0

data_ZrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.81
_cell_length_c   4.97
_cell_angle_alpha   118.93
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrW2
_chemical_formula_sum   'Zr1 W2'
_cell_volume   54.31
_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  0.0  1.0
  W  W1  1  0.0  0.49  0.49  1.0
  W  W2  1  0.0  0.77  0.77  1.0

Zr W W