data_[Sr12Li6Cu6H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [R-3m]
_cell_length_a [5.3355]
_cell_length_b [5.3355]
_cell_length_c [26.4661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2LiCuH6]
_chemical_formula_sum '[Sr12 Li6 Cu6 H36]'
_cell_volume [652.4796]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  6  0.0000  0.0000  0.1265  1.0
  Sr  Sr1  6  0.0000  0.0000  0.2905  1.0
  Li  Li2  6  0.0000  0.0000  0.4111  1.0
  Cu  Cu3  3  -0.0000  -0.0000  0.5000  1.0
  Cu  Cu4  3  0.0000  0.0000  0.0000  1.0
  H  H5  18  0.0070  0.5035  0.1259  1.0
  H  H6  18  0.0106  0.5053  0.7063  1.0
]