data_[Li8Cu4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0101]
_cell_length_b [5.2272]
_cell_length_c [5.2410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2CuH3]
_chemical_formula_sum '[Li8 Cu4 H12]'
_cell_volume [205.5107]
_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  8  0.1697  0.4164  0.0950  1.0
  Cu  Cu1  4  0.0000  0.0783  0.2500  1.0
  H  H2  8  0.1635  0.0699  0.0417  1.0
  H  H3  4  0.0000  0.3912  0.2500  1.0
]