data_[Li2Fe1Cu1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5754]
_cell_length_b [4.6599]
_cell_length_c [4.6610]
_cell_angle_alpha [91.0642]
_cell_angle_beta [119.3618]
_cell_angle_gamma [118.7410]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2FeCuH6]
_chemical_formula_sum '[Li2 Fe1 Cu1 H6]'
_cell_volume [71.6100]
_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  0.5014  0.7507  0.2567  1.0
  Li  Li1  1  0.5233  0.2778  0.7588  1.0
  Fe  Fe2  1  0.0141  0.0213  0.0055  1.0
  Cu  Cu3  1  0.0028  0.5021  0.4887  1.0
  H  H4  1  0.0590  0.3056  0.8093  1.0
  H  H5  1  0.1613  0.3169  0.3214  1.0
  H  H6  1  0.4908  0.1766  0.1856  1.0
  H  H7  1  0.5349  0.8276  0.7233  1.0
  H  H8  1  0.9432  0.7401  0.2041  1.0
  H  H9  1  0.9547  0.7444  0.7344  1.0
]