data_[La4Ni4Sn4]
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 [P2_1/c]
_cell_length_a [6.5125]
_cell_length_b [6.5589]
_cell_length_c [8.3108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaNiSn]
_chemical_formula_sum '[La4 Ni4 Sn4]'
_cell_volume [285.8813]
_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  0.2128  0.1423  0.9286  1.0
  Ni  Ni1  4  0.3666  0.5888  0.8317  1.0
  Sn  Sn2  4  0.2509  0.6392  0.0754  1.0
]