data_NbZnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.71
_cell_angle_alpha   100.38
_cell_angle_beta   100.38
_cell_angle_gamma   117.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnW2
_chemical_formula_sum   'Nb1 Zn1 W2'
_cell_volume   64.91
_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
  Nb  Nb0  1  0.78  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  W  W1  1  0.92  0.7  0.27  1.0
  W  W2  1  0.92  0.3  0.27  1.0

data_NbZnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.26
_cell_length_c   5.37
_cell_angle_alpha   116.93
_cell_angle_beta   100.38
_cell_angle_gamma   98.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnW2
_chemical_formula_sum   'Nb1 Zn1 W2'
_cell_volume   64.91
_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
  Nb  Nb0  1  -0.0  0.0  0.78  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.57  0.3  0.21  1.0
  W  W3  1  0.97  0.7  0.62  1.0

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