data_ZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   4.48
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrW
_chemical_formula_sum   'Zr4 W4'
_cell_volume   157.92
_cell_formula_units_Z   4
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  Zr4  1  0.79  0.12  0.57  1.0
  Zr  Zr5  1  0.26  0.36  0.68  1.0
  Zr  Zr6  1  0.83  0.12  0.1  1.0
  Zr  Zr7  1  0.31  0.36  0.21  1.0
  W  W0  1  0.51  0.12  0.57  1.0
  W  W1  1  0.54  0.36  0.46  1.0
  W  W2  1  0.56  0.12  0.32  1.0
  W  W3  1  0.59  0.36  0.22  1.0

data_ZrW
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.48
_cell_length_b   5.78
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrW
_chemical_formula_sum   'Zr4 W4'
_cell_volume   157.92
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.29  0.21  1.0
  Zr  Zr1  2  0.12  0.82  0.26  1.0
  W  W2  2  0.12  0.07  0.49  1.0
  W  W3  2  0.12  0.82  0.54  1.0

Zr Zr Zr Zr W W W W
Zr Zr Zr Zr W W W W 0 6 o o o 0 5 o o o 0 4 o o o 1 4 o o o 1 5 o o o 2 7 o o o 2 6 o o o 3 6 o o o 3 7 o o o 3 5 o o o 4 6 o o o 4 5 o o o 5 6 o o o 5 7 o o o 6 7 o o o 