data_[Sb2As2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1134]
_cell_length_b [3.5134]
_cell_length_c [5.4106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SbAsIr2]
_chemical_formula_sum '[Sb2 As2 Ir4]'
_cell_volume [152.1518]
_cell_formula_units_Z [2]
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
[
  Sb  Sb0  2  0.0148  0.5000  0.5284  1
  As  As1  2  0.2185  0.5000  0.0793  1
  Ir  Ir2  2  0.0152  0.0000  0.1219  1
  Ir  Ir3  2  0.2515  0.0000  0.7705  1
]