data_CuMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   127.07
_cell_angle_beta   127.07
_cell_angle_gamma   78.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuMo2W
_chemical_formula_sum   'Cu1 Mo2 W1'
_cell_volume   60.7
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.06  0.0  0.79  1.0
  Mo  Mo2  1  0.0  0.06  0.79  1.0
  W  W3  1  0.0  0.0  0.58  1.0

data_CuMo2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   129.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuMo2W
_chemical_formula_sum   'Cu2 Mo4 W2'
_cell_volume   121.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.0  1.0
  Mo  Mo1  4  0.47  0.47  0.73  1.0
  W  W2  2  0.0  0.0  0.58  1.0

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