data_AlCuRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   142.78
_cell_angle_beta   128.28
_cell_angle_gamma   65.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuRe2
_chemical_formula_sum   'Al1 Cu1 Re2'
_cell_volume   55.38
_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
  Al  Al0  1  0.0  0.0  0.2  1.0
  Cu  Cu1  1  0.0  0.14  0.98  1.0
  Re  Re2  1  0.0  0.0  0.25  1.0
  Re  Re3  1  0.57  0.0  0.1  1.0

data_AlCuRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.28
_cell_length_c   4.91
_cell_angle_alpha   115.86
_cell_angle_beta   108.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuRe2
_chemical_formula_sum   'Al1 Cu1 Re2'
_cell_volume   55.38
_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
  Al  Al0  1  0.8  0.8  0.8  1.0
  Cu  Cu1  1  0.02  0.16  0.16  1.0
  Re  Re2  1  0.47  0.9  0.47  1.0
  Re  Re3  1  0.75  0.75  0.75  1.0

Al Cu Re Re