data_SnAsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   153.67
_cell_angle_beta   150.99
_cell_angle_gamma   39.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsIr
_chemical_formula_sum   'Sn1 As1 Ir1'
_cell_volume   60.59
_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  Sn2  1  0.0  0.0  0.5  1.0
  As  As0  1  0.0  0.0  0.84  1.0
  Ir  Ir1  1  0.0  0.0  0.35  1.0

data_SnAsIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.29
_cell_length_c   6.56
_cell_angle_alpha   104.51
_cell_angle_beta   103.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsIr
_chemical_formula_sum   'Sn1 As1 Ir1'
_cell_volume   60.59
_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  0.5  0.5  0.5  1.0
  As  As1  1  0.16  0.16  0.16  1.0
  Ir  Ir2  1  0.65  0.65  0.65  1.0

Sn As Ir