data_NiMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.83
_cell_angle_alpha   98.35
_cell_angle_beta   98.35
_cell_angle_gamma   33.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMo2W
_chemical_formula_sum   'Ni1 Mo2 W1'
_cell_volume   59.42
_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  Ni2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.82  0.0  0.66  1.0
  Mo  Mo1  1  0.61  0.0  0.11  1.0
  W  W3  1  0.21  0.0  0.39  1.0

data_NiMo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.78
_cell_length_c   4.83
_cell_angle_alpha   98.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMo2W
_chemical_formula_sum   'Ni1 Mo2 W1'
_cell_volume   59.42
_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
  Mo  Mo1  1  0.0  0.18  0.34  1.0
  Mo  Mo2  1  0.0  0.39  0.89  1.0
  W  W3  1  0.0  0.79  0.61  1.0

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