data_[Cs4Al2Cu2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cm]
_cell_length_a [8.3100]
_cell_length_b [8.7678]
_cell_length_c [6.8171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs2AlCuH6]
_chemical_formula_sum '[Cs4 Al2 Cu2 H12]'
_cell_volume [394.0797]
_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
[
  Cs  Cs0  4  0.4297  0.2518  0.4125  1.0
  Al  Al1  2  0.3838  0.5000  0.9082  1.0
  Cu  Cu2  2  0.4431  0.0000  0.8879  1.0
  H  H3  4  0.0130  0.1548  0.0375  1.0
  H  H4  2  0.0365  0.5000  0.1663  1.0
  H  H5  2  0.1903  0.5000  0.9243  1.0
  H  H6  2  0.2830  0.0000  0.6000  1.0
  H  H7  2  0.2865  0.5000  0.6170  1.0
]