data_[La4Ni3Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5631]
_cell_length_b [4.5698]
_cell_length_c [18.0994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La4Ni3Sn8]
_chemical_formula_sum '[La4 Ni3 Sn8]'
_cell_volume [377.4103]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1060  1.0
  La  La1  1  0.0000  0.5000  0.8927  1.0
  La  La2  1  0.5000  0.0000  0.6079  1.0
  La  La3  1  0.5000  0.5000  0.3915  1.0
  Ni  Ni4  1  0.0000  0.0000  0.3174  1.0
  Ni  Ni5  1  0.0000  0.5000  0.6904  1.0
  Ni  Ni6  1  0.5000  0.5000  0.1805  1.0
  Sn  Sn7  1  0.0000  0.0000  0.4550  1.0
  Sn  Sn8  1  0.0000  0.0000  0.7574  1.0
  Sn  Sn9  1  0.0000  0.5000  0.2494  1.0
  Sn  Sn10  1  0.0000  0.5000  0.5514  1.0
  Sn  Sn11  1  0.5000  0.0000  0.2478  1.0
  Sn  Sn12  1  0.5000  0.0000  0.9386  1.0
  Sn  Sn13  1  0.5000  0.5000  0.0418  1.0
  Sn  Sn14  1  0.5000  0.5000  0.7575  1.0
]