data_[La4Ni2Sn6]
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 [Cm]
_cell_length_a [11.5980]
_cell_length_b [4.6654]
_cell_length_c [7.6206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2NiSn3]
_chemical_formula_sum '[La4 Ni2 Sn6]'
_cell_volume [312.6775]
_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  0.0741  0.5000  0.8359  1
  La  La1  2  0.4493  0.0000  0.1772  1
  Ni  Ni2  2  0.3286  0.5000  0.3916  1
  Sn  Sn3  2  0.1121  0.0000  0.5842  1
  Sn  Sn4  2  0.2057  0.0000  0.2692  1
  Sn  Sn5  2  0.3302  0.5000  0.7420  1
]