data_[La6Si8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6786]
_cell_length_b [4.2063]
_cell_length_c [8.2913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(Si2Ir)2]
_chemical_formula_sum '[La6 Si8 Ir4]'
_cell_volume [384.1533]
_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  4  0.1035  0.5000  0.6886  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.1153  0.0000  0.3966  1.0
  Si  Si3  4  0.2213  0.5000  0.0756  1.0
  Ir  Ir4  4  0.1993  0.5000  0.3575  1.0
]