data_Zr2AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   134.98
_cell_angle_beta   134.98
_cell_angle_gamma   65.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlW
_chemical_formula_sum   'Zr2 Al1 W1'
_cell_volume   76.91
_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  0.53  1.0
  Zr  Zr3  1  0.0  0.06  0.26  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.06  0.0  0.26  1.0

data_Zr2AlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.38
_cell_angle_alpha   112.51
_cell_angle_beta   112.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlW
_chemical_formula_sum   'Zr2 Al1 W1'
_cell_volume   76.91
_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  0.47  0.0  0.47  1.0
  Zr  Zr1  1  0.8  0.06  0.8  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.74  0.0  0.8  1.0

Zr Zr Al W
Zr Zr Al W 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 