data_[La6Fe4Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4229]
_cell_length_b [4.4918]
_cell_length_c [5.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Fe2Sn3]
_chemical_formula_sum '[La6 Fe4 Sn6]'
_cell_volume [405.7016]
_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  0.1643  0.0000  0.5793  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.2197  0.0000  0.0672  1
  Sn  Sn3  4  0.1416  0.5000  0.0678  1
  Sn  Sn4  2  0.0000  0.5000  0.5000  1
]