data_[Sr6Li3Ni48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4889]
_cell_length_b [8.4889]
_cell_length_c [12.1125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr2LiNi16]
_chemical_formula_sum '[Sr6 Li3 Ni48]'
_cell_volume [755.9062]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.3435  1
  Sr  Sr1  3  0.0000  0.0000  0.6554  1
  Li  Li2  3  0.0000  0.0000  0.0978  1
  Ni  Ni3  18  0.0002  0.2872  0.0001  1
  Ni  Ni4  9  0.0050  0.5025  0.8442  1
  Ni  Ni5  9  0.0067  0.5034  0.4996  1
  Ni  Ni6  9  0.1707  0.3415  0.4885  1
  Ni  Ni7  3  0.0000  0.0000  0.9062  1
]