data_AlCr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Re
_chemical_formula_sum   'Al1 Cr2 Re1'
_cell_volume   53.19
_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  0.97  1.0
  Cr  Cr1  1  0.49  0.0  0.13  1.0
  Cr  Cr2  1  0.0  0.0  0.28  1.0
  Re  Re3  1  0.49  0.0  0.19  1.0

data_AlCr2Re
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.63
_cell_length_b   8.23
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   AlCr2Re
_chemical_formula_sum   'Al1 Cr2 Re1'
_cell_volume   53.19
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.03  0.0  1.0
  Cr  Cr1  1  0.0  0.72  0.0  1.0
  Cr  Cr2  1  0.5  0.87  0.0  1.0
  Re  Re3  1  0.5  0.81  0.0  1.0

Al Cr Cr Re