data_[Sr2La6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9045]
_cell_length_b [4.1845]
_cell_length_c [13.5395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrLa3Ir]
_chemical_formula_sum '[Sr2 La6 Ir2]'
_cell_volume [384.8318]
_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
[
  Sr  Sr0  2  0.1826  0.5000  0.1297  1.0
  La  La1  2  0.1138  0.0000  0.3834  1.0
  La  La2  2  0.3200  0.0000  0.8788  1.0
  La  La3  2  0.3739  0.5000  0.6197  1.0
  Ir  Ir4  1  0.5000  0.0000  0.5000  1.0
  Ir  Ir5  1  0.5000  0.5000  0.0000  1.0
]