data_NiOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.4
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiOsW2
_chemical_formula_sum   'Ni1 Os1 W2'
_cell_volume   60.3
_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  0.9  0.0  0.54  1.0
  Os  Os1  1  0.0  0.2  0.81  1.0
  W  W2  1  0.8  0.0  0.07  1.0
  W  W3  1  0.8  0.2  0.28  1.0

data_NiOsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.4
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiOsW2
_chemical_formula_sum   'Ni1 Os1 W2'
_cell_volume   60.3
_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  0.9  0.0  0.54  1.0
  Os  Os1  1  0.0  0.2  0.81  1.0
  W  W2  1  0.8  0.2  0.28  1.0
  W  W3  1  0.8  0.0  0.07  1.0

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