data_Zr3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3W
_chemical_formula_sum   'Zr3 W1'
_cell_volume   83.02
_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  Zr1  1  0.46  0.45  0.46  1.0
  Zr  Zr2  1  0.46  0.55  0.46  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  W  W0  1  0.91  0.0  0.0  1.0

data_Zr3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   118.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3W
_chemical_formula_sum   'Zr3 W1'
_cell_volume   83.02
_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
  Zr  Zr1  1  0.46  0.46  0.45  1.0
  Zr  Zr2  1  0.46  0.46  0.55  1.0
  W  W3  1  0.0  0.91  0.0  1.0

Zr Zr Zr W
Zr Zr Zr W 0 1 o o o 2 3 - o o 