data_[Na4Li8Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.7086]
_cell_length_b [7.7086]
_cell_length_c [6.1028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [NaLi2Cr]
_chemical_formula_sum '[Na4 Li8 Cr4]'
_cell_volume [362.6457]
_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
[
  Na  Na0  4  0.0000  0.0000  0.5000  1
  Li  Li1  8  0.2400  0.2500  0.1250  1
  Cr  Cr2  4  0.0000  0.0000  0.0000  1
]