data_AlReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReAs2
_chemical_formula_sum   'Al1 Re1 As2'
_cell_volume   71.2
_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  0.0  1.0
  Re  Re3  1  0.0  0.0  0.76  1.0
  As  As1  1  0.5  0.0  0.68  1.0
  As  As2  1  0.5  0.0  0.85  1.0

data_AlReAs2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.9
_cell_length_b   9.53
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   117.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   AlReAs2
_chemical_formula_sum   'Al1 Re1 As2'
_cell_volume   71.2
_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  0.0  0.0  1.0
  Re  Re1  1  0.0  0.24  0.0  1.0
  As  As2  1  0.5  0.15  0.0  1.0
  As  As3  1  0.5  0.32  0.0  1.0

Al Re As As