data_[La6In3Ni48]
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 [R3m]
_cell_length_a [8.4808]
_cell_length_b [8.4808]
_cell_length_c [12.3564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2InNi16]
_chemical_formula_sum '[La6 In3 Ni48]'
_cell_volume [769.6603]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3410  1
  La  La1  3  0.0000  0.0000  0.6495  1
  In  In2  3  0.0000  0.0000  0.9101  1
  Ni  Ni3  18  0.0354  0.3686  0.6669  1
  Ni  Ni4  9  0.0006  0.5003  0.1551  1
  Ni  Ni5  9  0.0031  0.5016  0.8418  1
  Ni  Ni6  9  0.1694  0.8306  0.8321  1
  Ni  Ni7  3  0.0000  0.0000  0.1112  1
]