data_NbCuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.15
_cell_angle_alpha   96.13
_cell_angle_beta   96.13
_cell_angle_gamma   32.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuW2
_chemical_formula_sum   'Nb1 Cu1 W2'
_cell_volume   63.3
_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  0.88  0.0  0.35  1.0
  Cu  Cu0  1  0.39  0.0  0.54  1.0
  W  W2  1  0.7  0.0  0.07  1.0
  W  W3  1  0.81  0.0  0.83  1.0

data_NbCuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.83
_cell_length_c   5.15
_cell_angle_alpha   96.13
_cell_angle_beta   90.0
_cell_angle_gamma   106.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuW2
_chemical_formula_sum   'Nb1 Cu1 W2'
_cell_volume   63.3
_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  0.12  0.65  1.0
  Cu  Cu1  1  0.0  0.61  0.46  1.0
  W  W2  1  0.0  0.19  0.17  1.0
  W  W3  1  0.0  0.3  0.93  1.0

Nb Cu W W