data_Hf2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   21.14
_cell_angle_beta   21.14
_cell_angle_gamma   21.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuW
_chemical_formula_sum   'Hf2 Cu1 W1'
_cell_volume   75.02
_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
  Hf  Hf1  1  0.0  0.0  0.39  1.0
  Hf  Hf2  1  0.0  0.0  0.12  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.76  1.0

data_Hf2CuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CuW
_chemical_formula_sum   'Hf4 Cu2 W2'
_cell_volume   150.04
_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
  Hf  Hf0  2  0.0  0.0  0.61  1.0
  Hf  Hf1  2  0.0  0.0  0.88  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.24  1.0

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