data_CrCu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   140.67
_cell_angle_beta   134.43
_cell_angle_gamma   61.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2W
_chemical_formula_sum   'Cr1 Cu2 W1'
_cell_volume   51.75
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.89  0.12  1.0
  Cu  Cu2  1  0.64  0.0  0.06  1.0
  W  W3  1  0.0  0.0  0.18  1.0

data_CrCu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.77
_cell_length_c   4.87
_cell_angle_alpha   112.78
_cell_angle_beta   109.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2W
_chemical_formula_sum   'Cr1 Cu2 W1'
_cell_volume   51.75
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.06  0.42  1.0
  Cu  Cu2  1  0.11  0.23  0.23  1.0
  W  W3  1  0.0  0.18  0.18  1.0

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