data_[Li6Ni26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9506]
_cell_length_b [8.1460]
_cell_length_c [8.6138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li3Ni13]
_chemical_formula_sum '[Li6 Ni26]'
_cell_volume [347.3782]
_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
[
  Li  Li0  4  0.2528  0.0000  0.9597  1.0
  Li  Li1  2  0.0000  0.0000  0.7053  1.0
  Ni  Ni2  8  0.2524  0.2474  0.2911  1.0
  Ni  Ni3  4  0.0000  0.2490  0.5427  1.0
  Ni  Ni4  4  0.2505  0.0000  0.4572  1.0
  Ni  Ni5  4  0.5000  0.2447  0.5441  1.0
  Ni  Ni6  2  0.0000  0.0000  0.2107  1.0
  Ni  Ni7  2  0.5000  0.0000  0.2073  1.0
  Ni  Ni8  2  0.5000  0.0000  0.7049  1.0
]