data_Nb2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.53
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuW
_chemical_formula_sum   'Nb2 Cu1 W1'
_cell_volume   65.39
_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  0.76  0.26  0.36  1.0
  Nb  Nb2  1  0.98  0.26  0.01  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.87  0.0  0.68  1.0

data_Nb2CuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.53
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuW
_chemical_formula_sum   'Nb2 Cu1 W1'
_cell_volume   65.39
_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  0.76  0.26  0.36  1.0
  Nb  Nb1  1  0.98  0.26  0.01  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.87  0.0  0.68  1.0

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