data_[La2Fe4Si2]
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 [C2/m]
_cell_length_a [6.1067]
_cell_length_b [8.2854]
_cell_length_c [2.9788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaFe2Si]
_chemical_formula_sum '[La2 Fe4 Si2]'
_cell_volume [132.0317]
_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  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  4  0.2500  0.2500  0.0000  1
  Si  Si2  2  0.0000  0.5000  0.0000  1
]