data_CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   4.49
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuW
_chemical_formula_sum   'Cu2 W2'
_cell_volume   57.9
_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  0.0  0.0  0.96  1.0
  Cu  Cu1  1  0.29  0.24  0.05  1.0
  W  W2  1  0.29  0.0  0.56  1.0
  W  W3  1  0.0  0.24  0.45  1.0

data_CuW
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.58
_cell_length_b   4.49
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuW
_chemical_formula_sum   'Cu2 W2'
_cell_volume   57.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.14  0.12  0.05  1.0
  W  W1  2  0.14  0.88  0.56  1.0

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