data_[La2As2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4797]
_cell_length_b [5.8531]
_cell_length_c [5.8772]
_cell_angle_alpha [98.8784]
_cell_angle_beta [103.9439]
_cell_angle_gamma [110.4134]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaAsIr]
_chemical_formula_sum '[La2 As2 Ir2]'
_cell_volume [135.2696]
_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
[
  La  La0  1  0.4713  0.4148  0.5850  1.0
  La  La1  1  0.5146  0.8725  0.1242  1.0
  As  As2  1  0.0977  0.7992  0.5085  1.0
  As  As3  1  0.2226  0.2739  0.0370  1.0
  Ir  Ir4  1  0.7499  0.0257  0.6803  1.0
  Ir  Ir5  1  0.8253  0.4441  0.1056  1.0
]