data_[La4Fe4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0956]
_cell_length_b [16.9785]
_cell_length_c [4.2358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LaFeSi2]
_chemical_formula_sum '[La4 Fe4 Si8]'
_cell_volume [294.5446]
_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  0.0000  0.1448  0.0000  1
  Fe  Fe1  4  0.0000  0.4310  0.5000  1
  Si  Si2  4  0.0000  0.2924  0.5000  1
  Si  Si3  2  0.0000  0.0000  0.5000  1
  Si  Si4  2  0.0000  0.5000  0.0000  1
]