data_LaHf2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.44
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   99.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Re
_chemical_formula_sum   'La1 Hf2 Re1'
_cell_volume   93.91
_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  La2  1  0.83  0.0  0.45  1.0
  Hf  Hf0  1  0.88  0.0  0.42  1.0
  Hf  Hf1  1  0.25  0.22  0.26  1.0
  Re  Re3  1  0.8  0.22  0.31  1.0

data_LaHf2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.44
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   99.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Re
_chemical_formula_sum   'La1 Hf2 Re1'
_cell_volume   93.91
_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  0.83  0.0  0.45  1.0
  Hf  Hf1  1  0.25  0.22  0.26  1.0
  Hf  Hf2  1  0.88  0.0  0.42  1.0
  Re  Re3  1  0.8  0.22  0.31  1.0

La Hf Hf Re
La Hf Hf Re 0 1 o o o 0 3 o o o 1 3 o o o 2 3 - o o 2 3 o o o 