data_[Li4Cr2Fe2H12]
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
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6641]
_cell_length_b [4.6844]
_cell_length_c [8.0492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2CrFeH6]
_chemical_formula_sum '[Li4 Cr2 Fe2 H12]'
_cell_volume [143.0406]
_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  0.2457  0.0213  0.2503  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.5000  0.0000  0.0000  1.0
  H  H3  4  0.1787  0.1998  0.9560  1.0
  H  H4  4  0.2509  0.7243  0.9504  1.0
  H  H5  4  0.3523  0.0306  0.7622  1.0
]