data_NbBW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   145.99
_cell_angle_beta   125.61
_cell_angle_gamma   65.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBW2
_chemical_formula_sum   'Nb1 B1 W2'
_cell_volume   58.1
_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  0.0  0.0  0.25  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.48  0.0  0.6  1.0
  W  W3  1  0.0  0.31  0.65  1.0

data_NbBW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.62
_cell_length_c   5.06
_cell_angle_alpha   117.19
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBW2
_chemical_formula_sum   'Nb1 B1 W2'
_cell_volume   58.1
_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  0.75  0.75  0.75  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.35  0.66  0.66  1.0
  W  W3  1  0.88  0.4  0.88  1.0

Nb B W W
Nb B W W 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 1 2 - o - 2 3 o o o 