data_NbRuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   145.5
_cell_angle_beta   142.88
_cell_angle_gamma   51.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRuW
_chemical_formula_sum   'Nb1 Ru1 W1'
_cell_volume   48.67
_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
  Ru  Ru1  1  0.0  0.0  0.29  1.0
  W  W2  1  0.0  0.0  0.12  1.0

data_NbRuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.33
_cell_length_c   5.23
_cell_angle_alpha   108.56
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRuW
_chemical_formula_sum   'Nb1 Ru1 W1'
_cell_volume   48.67
_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  1.0  1.0  1.0  1.0
  Ru  Ru1  1  0.71  0.71  0.71  1.0
  W  W2  1  0.88  0.88  0.88  1.0

Nb Ru W
Nb Ru W 0 2 o o o 1 2 o o o 