data_Cu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2W
_chemical_formula_sum   'Cu16 W8'
_cell_volume   366.27
_cell_formula_units_Z   8
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
  Cu  Cu0  1  0.42  0.26  0.26  1.0
  Cu  Cu1  1  0.26  0.42  0.26  1.0
  Cu  Cu2  1  0.26  0.26  0.42  1.0
  Cu  Cu3  1  0.42  0.42  0.42  1.0
  Cu  Cu4  1  0.68  0.68  0.96  1.0
  Cu  Cu5  1  0.68  0.96  0.68  1.0
  Cu  Cu6  1  0.96  0.68  0.68  1.0
  Cu  Cu7  1  0.39  0.68  0.68  1.0
  Cu  Cu8  1  0.68  0.39  0.68  1.0
  Cu  Cu9  1  0.68  0.68  0.39  1.0
  Cu  Cu10  1  0.52  0.52  0.23  1.0
  Cu  Cu11  1  0.52  0.23  0.52  1.0
  Cu  Cu12  1  0.23  0.52  0.52  1.0
  Cu  Cu13  1  0.8  0.52  0.52  1.0
  Cu  Cu14  1  0.52  0.8  0.52  1.0
  Cu  Cu15  1  0.52  0.52  0.8  1.0
  W  W16  1  0.39  0.39  0.39  1.0
  W  W17  1  0.65  0.65  0.39  1.0
  W  W18  1  0.65  0.39  0.65  1.0
  W  W19  1  0.39  0.65  0.65  1.0
  W  W20  1  0.81  0.81  0.81  1.0
  W  W21  1  0.55  0.55  0.81  1.0
  W  W22  1  0.55  0.81  0.55  1.0
  W  W23  1  0.81  0.55  0.55  1.0

data_Cu2W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   19.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu2W
_chemical_formula_sum   'Cu48 W24'
_cell_volume   1098.8
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cu  Cu0  9  0.05  0.11  0.69  1.0
  Cu  Cu1  9  0.09  0.19  0.23  1.0
  Cu  Cu2  9  0.09  0.19  0.39  1.0
  Cu  Cu3  9  0.19  0.09  0.42  1.0
  Cu  Cu4  9  0.19  0.09  0.58  1.0
  Cu  Cu5  3  0.0  0.0  0.58  1.0
  W  W6  9  0.09  0.18  0.37  1.0
  W  W7  9  0.18  0.09  0.44  1.0
  W  W8  3  0.0  0.0  0.19  1.0
  W  W9  3  0.0  0.0  0.61  1.0

Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu W W W W W W W W