data_LaHfW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   147.59
_cell_angle_beta   122.99
_cell_angle_gamma   67.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfW
_chemical_formula_sum   'La1 Hf1 W1'
_cell_volume   66.07
_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
  La  La1  1  0.0  0.0  0.9  1.0
  Hf  Hf0  1  0.0  0.0  0.78  1.0
  W  W2  1  0.0  0.0  0.99  1.0

data_LaHfW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.06
_cell_length_c   5.3
_cell_angle_alpha   118.51
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfW
_chemical_formula_sum   'La1 Hf1 W1'
_cell_volume   66.07
_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
  La  La0  1  0.1  0.1  0.1  1.0
  Hf  Hf1  1  0.22  0.22  0.22  1.0
  W  W2  1  0.01  0.01  0.01  1.0

La Hf W