data_[Li2Al1Cu1H6]
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
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7039]
_cell_length_b [4.8152]
_cell_length_c [4.8197]
_cell_angle_alpha [60.5101]
_cell_angle_beta [65.3588]
_cell_angle_gamma [78.9815]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2AlCuH6]
_chemical_formula_sum '[Li2 Al1 Cu1 H6]'
_cell_volume [86.3559]
_cell_formula_units_Z [1]
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  1  0.3313  0.3524  0.1436  1.0
  Li  Li1  1  0.9793  0.9948  0.0156  1.0
  Al  Al2  1  0.0203  0.6862  0.6514  1.0
  Cu  Cu3  1  0.6587  0.3175  0.4876  1.0
  H  H4  1  0.2198  0.7281  0.8450  1.0
  H  H5  1  0.2362  0.9465  0.2497  1.0
  H  H6  1  0.2664  0.3534  0.6089  1.0
  H  H7  1  0.7521  0.9727  0.7537  1.0
  H  H8  1  0.7688  0.3655  0.0870  1.0
  H  H9  1  0.7823  0.6214  0.4806  1.0
]