data_Cr2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.82
_cell_angle_alpha   95.82
_cell_angle_beta   95.82
_cell_angle_gamma   31.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuW
_chemical_formula_sum   'Cr2 Cu1 W1'
_cell_volume   52.84
_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  0.25  0.0  0.74  1.0
  Cr  Cr1  1  0.77  0.0  0.59  1.0
  Cu  Cu2  1  0.15  0.0  0.42  1.0
  W  W3  1  0.49  0.0  0.23  1.0

data_Cr2CuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.56
_cell_length_c   4.82
_cell_angle_alpha   95.82
_cell_angle_beta   90.0
_cell_angle_gamma   106.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuW
_chemical_formula_sum   'Cr2 Cu1 W1'
_cell_volume   52.84
_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  0.23  0.41  1.0
  Cr  Cr1  1  0.0  0.75  0.26  1.0
  Cu  Cu2  1  0.0  0.85  0.58  1.0
  W  W3  1  0.0  0.51  0.77  1.0

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