data_VZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.62
_cell_angle_alpha   93.13
_cell_angle_beta   93.13
_cell_angle_gamma   116.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2W
_chemical_formula_sum   'V1 Zn2 W1'
_cell_volume   57.39
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.17  0.11  0.3  1.0
  Zn  Zn3  1  0.17  0.89  0.3  1.0
  W  W1  1  0.61  0.0  0.0  1.0

data_VZn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   116.57
_cell_angle_beta   93.13
_cell_angle_gamma   93.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2W
_chemical_formula_sum   'V1 Zn2 W1'
_cell_volume   57.39
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.3  0.17  0.89  1.0
  Zn  Zn2  1  0.3  0.17  0.11  1.0
  W  W3  1  -0.0  0.61  0.0  1.0

V Zn Zn W
V Zn Zn W 0 1 o o o 0 3 - o o 1 2 o - o 2 3 o + o 