data_[Li4Al16Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1866]
_cell_length_b [11.3761]
_cell_length_c [4.9582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiAl4Cr]
_chemical_formula_sum '[Li4 Al16 Cr4]'
_cell_volume [377.6901]
_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  4  0.0000  0.4070  0.7500  1
  Al  Al1  8  0.1139  0.1833  0.0557  1
  Al  Al2  8  0.2120  0.3908  0.3550  1
  Cr  Cr3  4  0.0000  0.0019  0.2500  1
]