data_ZrZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.16
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2W
_chemical_formula_sum   'Zr1 Zn2 W1'
_cell_volume   68.72
_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  Zr3  1  0.0  0.0  0.95  1.0
  Zn  Zn1  1  0.0  0.0  0.81  1.0
  Zn  Zn2  1  0.41  0.08  0.38  1.0
  W  W0  1  0.41  0.08  0.48  1.0

data_ZrZn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.16
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2W
_chemical_formula_sum   'Zr1 Zn2 W1'
_cell_volume   68.72
_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  0.95  1.0
  Zn  Zn1  1  0.0  0.0  0.81  1.0
  Zn  Zn2  1  0.41  0.08  0.38  1.0
  W  W3  1  0.41  0.08  0.48  1.0

Zr Zn Zn W
Zr Zn Zn W 0 1 o o o 2 3 o o o 