data_Cu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   103.85
_cell_angle_beta   103.85
_cell_angle_gamma   121.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2W
_chemical_formula_sum   'Cu4 W2'
_cell_volume   91.33
_cell_formula_units_Z   2
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  0.87  0.93  0.0  1.0
  Cu  Cu1  1  0.2  0.13  0.43  1.0
  Cu  Cu2  1  0.87  0.2  0.43  1.0
  Cu  Cu3  1  0.2  0.87  0.0  1.0
  W  W4  1  0.0  0.0  0.22  1.0
  W  W5  1  0.0  0.0  0.65  1.0

data_Cu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   76.15
_cell_angle_beta   60.7
_cell_angle_gamma   60.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2W
_chemical_formula_sum   'Cu4 W2'
_cell_volume   91.33
_cell_formula_units_Z   2
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  0.7  0.43  0.06  1.0
  Cu  Cu1  1  0.76  0.43  0.67  1.0
  Cu  Cu2  1  0.87  -0.0  0.33  1.0
  Cu  Cu3  1  0.93  -0.0  0.94  1.0
  W  W4  1  0.35  0.65  0.0  1.0
  W  W5  1  0.78  0.22  0.0  1.0

Cu Cu Cu Cu W W
Cu Cu Cu Cu W W 0 4 + + o 0 3 + o o 0 5 + + - 1 4 o o o 1 2 - o o 1 5 o o o 2 4 + o o 2 5 + o o 3 5 o + - 3 4 o + o 