data_[Sr8Li1Ni2]
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 [P-3m1]
_cell_length_a [9.6848]
_cell_length_b [9.6848]
_cell_length_c [6.3130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr8LiNi2]
_chemical_formula_sum '[Sr8 Li1 Ni2]'
_cell_volume [512.8017]
_cell_formula_units_Z [1]
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  6  0.1694  0.3387  0.7423  1
  Sr  Sr1  2  0.3333  0.6667  0.2411  1
  Li  Li2  1  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.3333  0.6667  0.7428  1
]