data_NiSbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   135.82
_cell_angle_beta   135.82
_cell_angle_gamma   64.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbW2
_chemical_formula_sum   'Ni1 Sb1 W2'
_cell_volume   63.88
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.33  1.0
  W  W2  1  0.0  0.92  0.16  1.0
  W  W3  1  0.92  0.0  0.16  1.0

data_NiSbW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   122.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiSbW2
_chemical_formula_sum   'Ni2 Sb2 W4'
_cell_volume   127.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.17  0.5  0.67  1.0
  W  W2  4  0.3  0.46  0.76  1.0

Ni Sb W W
Ni Sb W W 0 3 - o o 0 2 o - o 1 3 - o o 1 2 o - o 2 3 - + o 