data_NiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   55.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2
_chemical_formula_sum   'Ni2 W4'
_cell_volume   87.7
_cell_formula_units_Z   2
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  0.27  0.69  0.4  1.0
  Ni  Ni1  1  0.27  0.31  0.13  1.0
  W  W2  1  0.68  0.02  0.4  1.0
  W  W3  1  0.85  0.98  0.13  1.0
  W  W4  1  0.85  0.02  0.4  1.0
  W  W5  1  0.68  0.98  0.13  1.0

data_NiW2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.53
_cell_length_b   4.54
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   117.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiW2
_chemical_formula_sum   'Ni2 W4'
_cell_volume   87.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.31  0.87  0.31  1.0
  W  W1  2  0.02  0.13  0.44  1.0
  W  W2  2  0.02  0.13  0.61  1.0

Ni Ni W W W W