data_[Sr2La2Ir2]
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_1/m]
_cell_length_a [5.6500]
_cell_length_b [4.6586]
_cell_length_c [7.6944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLaIr]
_chemical_formula_sum '[Sr2 La2 Ir2]'
_cell_volume [194.3928]
_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  0.2452  0.7500  0.4339  1.0
  La  La1  2  0.2336  0.7500  0.9458  1.0
  Ir  Ir2  2  0.3084  0.2500  0.1869  1.0
]