data_LaReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReAu2
_chemical_formula_sum   'La1 Re1 Au2'
_cell_volume   79.96
_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  0.0  0.0  0.0  1.0
  Re  Re3  1  0.05  0.0  0.0  1.0
  Au  Au0  1  0.52  0.9  0.56  1.0
  Au  Au1  1  0.52  0.1  0.56  1.0

data_LaReAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   108.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReAu2
_chemical_formula_sum   'La1 Re1 Au2'
_cell_volume   79.96
_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  0.0  0.0  1.0
  Re  Re1  1  -0.0  0.05  0.0  1.0
  Au  Au2  1  0.56  0.52  0.1  1.0
  Au  Au3  1  0.56  0.52  0.9  1.0

La Re Au Au