data_[La8In4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.7172]
_cell_length_b [14.9365]
_cell_length_c [4.4388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [La2InSi2]
_chemical_formula_sum '[La8 In4 Si8]'
_cell_volume [511.6506]
_cell_formula_units_Z [4]
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  0.1121  0.2169  0.5000  1.0
  La  La1  4  0.2492  0.9647  0.5000  1.0
  In  In2  4  0.0647  0.6238  0.0000  1.0
  Si  Si3  4  0.0511  0.0760  0.0000  1.0
  Si  Si4  4  0.1787  0.8166  0.0000  1.0
]