data_[Li2As2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4925]
_cell_length_b [4.5931]
_cell_length_c [5.1142]
_cell_angle_alpha [86.1330]
_cell_angle_beta [65.3490]
_cell_angle_gamma [77.0326]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiAsIr]
_chemical_formula_sum '[Li2 As2 Ir2]'
_cell_volume [93.4254]
_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
[
  Li  Li0  2  0.0483  0.2519  0.3725  1.0
  As  As1  2  0.3146  0.2816  0.7757  1.0
  Ir  Ir2  2  0.2797  0.7810  0.0056  1.0
]