data_NbIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.51
_cell_length_c   2.81
_cell_angle_alpha   78.28
_cell_angle_beta   76.9
_cell_angle_gamma   24.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIrW
_chemical_formula_sum   'Nb1 Ir1 W1'
_cell_volume   48.97
_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  Nb1  1  0.93  0.04  0.22  1.0
  Ir  Ir0  1  0.93  0.04  0.38  1.0
  W  W2  1  0.93  0.04  0.28  1.0

data_NbIrW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   12.44
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   133.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbIrW
_chemical_formula_sum   'Nb2 Ir2 W2'
_cell_volume   97.94
_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  0.43  0.5  0.15  1.0
  Ir  Ir1  2  0.43  0.5  0.31  1.0
  W  W2  2  0.43  0.5  0.21  1.0

Nb Ir W
Nb Ir W 0 2 o o o 1 2 o o o 