data_NbOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   137.06
_cell_angle_beta   137.06
_cell_angle_gamma   62.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOsW2
_chemical_formula_sum   'Nb1 Os1 W2'
_cell_volume   65.78
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.48  1.0
  W  W2  1  0.0  0.92  0.24  1.0
  W  W3  1  0.92  0.0  0.24  1.0

data_NbOsW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   121.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbOsW2
_chemical_formula_sum   'Nb2 Os2 W4'
_cell_volume   131.57
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.02  0.5  0.52  1.0
  W  W2  4  0.22  0.46  0.68  1.0

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