data_SrAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.0
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsIr2
_chemical_formula_sum   'Sr1 As1 Ir2'
_cell_volume   78.09
_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
  Sr  Sr3  1  0.48  0.0  0.22  1.0
  As  As0  1  0.0  0.0  0.41  1.0
  Ir  Ir1  1  0.48  0.0  0.03  1.0
  Ir  Ir2  1  0.0  0.0  0.23  1.0

data_SrAsIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   4.0
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrAsIr2
_chemical_formula_sum   'Sr1 As1 Ir2'
_cell_volume   78.09
_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
  Sr  Sr0  1  0.48  0.0  0.22  1.0
  As  As1  1  0.0  0.0  0.41  1.0
  Ir  Ir2  1  0.0  0.0  0.23  1.0
  Ir  Ir3  1  0.48  0.0  0.03  1.0

Sr As Ir Ir
Sr As Ir Ir 0 3 o o o 0 3 + o o 0 2 o o o 1 3 o o o 