data_[Li4Cr2Ni2H12]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7209]
_cell_length_b [4.7620]
_cell_length_c [8.1954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2CrNiH6]
_chemical_formula_sum '[Li4 Cr2 Ni2 H12]'
_cell_volume [150.3348]
_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  0.2459  0.0240  0.2505  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  H  H3  4  0.1727  0.2031  0.9574  1.0
  H  H4  4  0.2547  0.7144  0.9554  1.0
  H  H5  4  0.3419  0.0265  0.7572  1.0
]