data_[Zr8Sb4As4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [Pm]
_cell_length_a [10.8575]
_cell_length_b [4.4329]
_cell_length_c [10.8583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zr2SbAsIr2]
_chemical_formula_sum '[Zr8 Sb4 As4 Ir8]'
_cell_volume [492.7162]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  1  0.1177  0.5000  0.1231  1
  Zr  Zr1  1  0.2498  0.0000  0.4982  1
  Zr  Zr2  1  0.3791  0.5000  0.8721  1
  Zr  Zr3  1  0.5046  0.0000  0.2546  1
  Zr  Zr4  1  0.6277  0.5000  0.6279  1
  Zr  Zr5  1  0.7509  0.0000  0.9974  1
  Zr  Zr6  1  0.8750  0.5000  0.3767  1
  Zr  Zr7  1  0.9941  0.0000  0.7497  1
  Sb  Sb8  1  0.1243  0.5000  0.6252  1
  Sb  Sb9  1  0.2499  0.0000  0.9998  1
  Sb  Sb10  1  0.3753  0.5000  0.3754  1
  Sb  Sb11  1  0.6264  0.5000  0.1250  1
  As  As12  1  0.5012  0.0000  0.7491  1
  As  As13  1  0.7500  0.0000  0.5010  1
  As  As14  1  0.8734  0.5000  0.8742  1
  As  As15  1  0.9984  0.0000  0.2500  1
  Ir  Ir16  1  0.1214  0.5000  0.3716  1
  Ir  Ir17  1  0.2526  0.0000  0.7488  1
  Ir  Ir18  1  0.3752  0.5000  0.1255  1
  Ir  Ir19  1  0.5041  0.0000  0.5048  1
  Ir  Ir20  1  0.6272  0.5000  0.8728  1
  Ir  Ir21  1  0.7543  0.0000  0.2528  1
  Ir  Ir22  1  0.8722  0.5000  0.6258  1
  Ir  Ir23  1  0.9953  0.0000  0.9987  1
]