data_HfCo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   35.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2W
_chemical_formula_sum   'Hf1 Co2 W1'
_cell_volume   57.52
_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  Hf2  1  0.0  0.0  0.53  1.0
  Co  Co0  1  0.0  0.0  0.54  1.0
  Co  Co1  1  0.02  0.0  0.19  1.0
  W  W3  1  0.02  0.0  0.82  1.0

data_HfCo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.03
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2W
_chemical_formula_sum   'Hf1 Co2 W1'
_cell_volume   57.52
_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  Hf0  1  0.47  0.0  0.47  1.0
  Co  Co1  1  0.46  0.0  0.46  1.0
  Co  Co2  1  0.81  0.02  0.81  1.0
  W  W3  1  0.18  0.02  0.18  1.0

Hf Co Co W
Hf Co Co W 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o - 