data_[Li8Cr4Ni4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5745]
_cell_length_b [4.0072]
_cell_length_c [8.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2CrNiO4]
_chemical_formula_sum '[Li8 Cr4 Ni4 O16]'
_cell_volume [284.3258]
_cell_formula_units_Z [4]
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  2  0.0049  0.5000  0.7535  1.0
  Li  Li1  2  0.0119  0.5000  0.2562  1.0
  Li  Li2  2  0.2268  0.0000  0.8625  1.0
  Li  Li3  2  0.2678  0.0000  0.3861  1.0
  Cr  Cr4  2  0.2499  0.5000  0.6271  1.0
  Cr  Cr5  2  0.2524  0.5000  0.1253  1.0
  Ni  Ni6  2  0.4951  0.5000  0.9967  1.0
  Ni  Ni7  2  0.4987  0.5000  0.5005  1.0
  O  O8  2  0.0169  0.5000  0.5062  1.0
  O  O9  2  0.0280  0.5000  0.0173  1.0
  O  O10  2  0.2300  0.0000  0.6146  1.0
  O  O11  2  0.2357  0.0000  0.1191  1.0
  O  O12  2  0.2577  0.5000  0.8820  1.0
  O  O13  2  0.2637  0.5000  0.3794  1.0
  O  O14  2  0.4668  0.5000  0.2308  1.0
  O  O15  2  0.4781  0.5000  0.7428  1.0
]