data_NbCd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.31
_cell_angle_alpha   96.72
_cell_angle_beta   96.72
_cell_angle_gamma   30.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2W
_chemical_formula_sum   'Nb1 Cd2 W1'
_cell_volume   74.62
_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  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.51  0.0  0.33  1.0
  Cd  Cd1  1  0.05  0.0  0.94  1.0
  W  W3  1  0.78  0.0  0.64  1.0

data_NbCd2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.29
_cell_length_c   5.31
_cell_angle_alpha   96.72
_cell_angle_beta   90.0
_cell_angle_gamma   105.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2W
_chemical_formula_sum   'Nb1 Cd2 W1'
_cell_volume   74.62
_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
  Cd  Cd1  1  0.0  0.49  0.67  1.0
  Cd  Cd2  1  0.0  0.95  0.06  1.0
  W  W3  1  0.0  0.22  0.36  1.0

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