data_Ni2MoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   144.2
_cell_angle_beta   144.2
_cell_angle_gamma   51.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2MoW2
_chemical_formula_sum   'Ni2 Mo1 W2'
_cell_volume   74.91
_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
  Ni  Ni1  1  0.0  0.0  0.5  1.0
  Ni  Ni2  1  0.0  0.0  0.37  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.86  0.72  1.0
  W  W4  1  0.86  0.0  0.72  1.0

data_Ni2MoW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   115.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2MoW2
_chemical_formula_sum   'Ni4 Mo2 W4'
_cell_volume   149.83
_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  0.5  0.5  1.0
  Ni  Ni1  2  0.37  0.0  0.37  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0
  W  W3  4  0.29  0.43  0.86  1.0

Ni Ni Mo W W
Ni Ni Mo W W 0 1 o o o 2 4 - o - 2 3 o - - 3 4 - + o 