data_[La2In12Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4233]
_cell_length_b [7.6497]
_cell_length_c [11.9690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La(In2Ni)3]
_chemical_formula_sum '[La2 In12 Ni6]'
_cell_volume [404.9959]
_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  0.0000  0.0000  0.3227  1.0
  In  In1  4  0.0000  0.1984  0.5840  1.0
  In  In2  4  0.0000  0.2930  0.8375  1.0
  In  In3  2  0.0000  0.0000  0.0117  1.0
  In  In4  2  0.0000  0.5000  0.2516  1.0
  Ni  Ni5  4  0.0000  0.3278  0.0643  1.0
  Ni  Ni6  2  0.0000  0.5000  0.4670  1.0
]