data_NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW
_chemical_formula_sum   'Ni2 W2'
_cell_volume   53.58
_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  0.31  0.36  0.09  1.0
  Ni  Ni1  1  0.31  0.64  0.03  1.0
  W  W2  1  0.31  0.69  0.09  1.0
  W  W3  1  0.31  0.31  0.03  1.0

data_NiW
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.61
_cell_length_b   4.13
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   104.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiW
_chemical_formula_sum   'Ni2 W2'
_cell_volume   53.58
_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  0.36  0.47  0.86  1.0
  W  W1  2  0.31  0.53  0.81  1.0

Ni Ni W W
Ni Ni W W 0 3 o o o 1 2 o o o 