data_[Ag1As1Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8623]
_cell_length_b [2.8623]
_cell_length_c [8.1656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [AgAsIr2]
_chemical_formula_sum '[Ag1 As1 Ir2]'
_cell_volume [66.8989]
_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
[
  Ag  Ag0  1  0.0000  0.0000  0.4780  1
  As  As1  1  0.5000  0.5000  0.7966  1
  Ir  Ir2  1  0.0000  0.0000  0.9984  1
  Ir  Ir3  1  0.5000  0.5000  0.2271  1
]