data_Zr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   4.77
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2W
_chemical_formula_sum   'Zr8 W4'
_cell_volume   246.42
_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  0.28  0.19  0.9  1.0
  Zr  Zr5  1  0.02  0.19  0.92  1.0
  Zr  Zr6  1  0.96  0.58  0.58  1.0
  Zr  Zr7  1  0.7  0.58  0.24  1.0
  Zr  Zr8  1  0.26  0.19  0.44  1.0
  Zr  Zr9  1  1.0  0.19  0.1  1.0
  Zr  Zr10  1  0.94  0.58  0.76  1.0
  Zr  Zr11  1  0.67  0.58  0.78  1.0
  W  W0  1  0.03  0.19  0.83  1.0
  W  W1  1  0.95  0.58  0.5  1.0
  W  W2  1  0.01  0.19  0.18  1.0
  W  W3  1  0.92  0.58  0.84  1.0

data_Zr2W
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.77
_cell_length_b   5.96
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr2W
_chemical_formula_sum   'Zr8 W4'
_cell_volume   246.42
_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  0.31  0.02  0.26  1.0
  Zr  Zr1  2  0.31  0.04  0.08  1.0
  Zr  Zr2  2  0.31  0.28  0.6  1.0
  Zr  Zr3  2  0.31  0.3  0.06  1.0
  W  W4  2  0.31  0.03  0.34  1.0
  W  W5  2  0.31  0.05  1.0  1.0

Zr Zr Zr Zr Zr Zr Zr Zr W W W W