data_ReAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.9
_cell_angle_alpha   103.54
_cell_angle_beta   103.54
_cell_angle_gamma   43.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Ir
_chemical_formula_sum   'Re1 As2 Ir1'
_cell_volume   65.37
_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
  Re  Re3  1  0.17  0.0  0.16  1.0
  As  As0  1  0.15  0.0  0.11  1.0
  As  As1  1  0.96  0.0  0.34  1.0
  Ir  Ir2  1  0.56  0.0  0.23  1.0

data_ReAs2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.5
_cell_length_c   4.9
_cell_angle_alpha   103.54
_cell_angle_beta   90.0
_cell_angle_gamma   111.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Ir
_chemical_formula_sum   'Re1 As2 Ir1'
_cell_volume   65.37
_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
  Re  Re0  1  0.0  0.83  0.84  1.0
  As  As1  1  0.0  0.04  0.66  1.0
  As  As2  1  0.0  0.85  0.89  1.0
  Ir  Ir3  1  0.0  0.44  0.77  1.0

Re As As Ir