data_[La8Cu8Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6311]
_cell_length_b [9.4087]
_cell_length_c [18.1794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [LaCuSn2]
_chemical_formula_sum '[La8 Cu8 Sn16]'
_cell_volume [792.1247]
_cell_formula_units_Z [8]
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  0.2585  0.0000  1
  La  La1  4  0.0000  0.5000  0.2033  1
  Cu  Cu2  8  0.0000  0.2439  0.3537  1
  Sn  Sn3  8  0.0000  0.1582  0.8077  1
  Sn  Sn4  4  0.0000  0.0000  0.4227  1
  Sn  Sn5  4  0.0000  0.5000  0.4194  1
]