data_SnAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   145.6
_cell_angle_beta   144.94
_cell_angle_gamma   49.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsIr2
_chemical_formula_sum   'Sn1 As1 Ir2'
_cell_volume   70.85
_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
  Sn  Sn3  1  0.0  0.82  0.45  1.0
  As  As0  1  0.0  0.0  0.57  1.0
  Ir  Ir1  1  0.0  0.82  0.84  1.0
  Ir  Ir2  1  0.0  0.0  0.54  1.0

data_SnAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.63
_cell_length_c   6.03
_cell_angle_alpha   107.53
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsIr2
_chemical_formula_sum   'Sn1 As1 Ir2'
_cell_volume   70.85
_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
  Sn  Sn0  1  0.18  0.63  0.63  1.0
  As  As1  1  0.0  0.57  0.57  1.0
  Ir  Ir2  1  0.0  0.54  0.54  1.0
  Ir  Ir3  1  0.18  0.03  0.03  1.0

Sn As Ir Ir