data_[As1Ir1C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.2231]
_cell_length_b [2.8859]
_cell_length_c [5.0230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AsIrC4]
_chemical_formula_sum '[As1 Ir1 C4]'
_cell_volume [58.5743]
_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
[
  As  As0  1  0.0000  0.5000  0.5000  1
  Ir  Ir1  1  0.0000  0.5000  0.0000  1
  C  C2  2  0.4052  0.0000  0.1011  1
  C  C3  2  0.4193  0.0000  0.6044  1
]