data_Ba2HfW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27
_cell_length_b   9.27
_cell_length_c   4.52
_cell_angle_alpha   102.57
_cell_angle_beta   102.57
_cell_angle_gamma   21.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfW
_chemical_formula_sum   'Ba2 Hf1 W1'
_cell_volume   136.21
_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
  Ba  Ba0  1  0.98  0.0  0.5  1.0
  Ba  Ba1  1  0.24  0.0  0.9  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.61  0.0  0.2  1.0

data_Ba2HfW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.52
_cell_length_c   9.27
_cell_angle_alpha   102.57
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfW
_chemical_formula_sum   'Ba2 Hf1 W1'
_cell_volume   136.21
_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
  Ba  Ba0  1  0.0  0.5  0.98  1.0
  Ba  Ba1  1  0.0  0.9  0.24  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.2  0.61  1.0

Ba Ba Hf W