data_Al2ReAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   140.45
_cell_angle_beta   127.27
_cell_angle_gamma   67.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ReAs
_chemical_formula_sum   'Al2 Re1 As1'
_cell_volume   60.59
_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  0.68  0.0  0.03  1.0
  Al  Al1  1  0.0  0.2  0.08  1.0
  Re  Re3  1  0.0  0.0  0.11  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_Al2ReAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.4
_cell_length_c   4.95
_cell_angle_alpha   116.36
_cell_angle_beta   109.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ReAs
_chemical_formula_sum   'Al2 Re1 As1'
_cell_volume   60.59
_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  0.64  0.97  0.64  1.0
  Al  Al1  1  0.92  0.12  0.12  1.0
  Re  Re2  1  0.89  0.89  0.89  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Al Al Re As