data_CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   9.16
_cell_angle_alpha   17.12
_cell_angle_beta   17.12
_cell_angle_gamma   17.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuW
_chemical_formula_sum   'Cu2 W2'
_cell_volume   58.21
_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  0.02  1.0
  Cu  Cu1  1  0.0  0.0  0.06  1.0
  W  W2  1  0.0  0.0  0.28  1.0
  W  W3  1  0.0  0.0  0.8  1.0

data_CuW
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.73
_cell_length_b   2.73
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   CuW
_chemical_formula_sum   'Cu4 W4'
_cell_volume   116.43
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.48  1.0
  W  W1  4  0.0  0.0  0.26  1.0

Cu Cu W W
Cu Cu W W 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 o o - 