data_La2HfRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   149.44
_cell_angle_beta   137.55
_cell_angle_gamma   53.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfRe
_chemical_formula_sum   'La2 Hf1 Re1'
_cell_volume   101.3
_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  0.76  0.0  0.6  1.0
  La  La2  1  0.0  0.42  0.37  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.96  1.0

data_La2HfRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.83
_cell_length_c   6.67
_cell_angle_alpha   111.23
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfRe
_chemical_formula_sum   'La2 Hf1 Re1'
_cell_volume   101.3
_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  0.0  0.6  0.84  1.0
  La  La1  1  0.58  0.95  0.95  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.96  0.96  1.0

La La Hf Re