data_[Cs4Cu4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7283]
_cell_length_b [3.7560]
_cell_length_c [14.1326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsCuH2]
_chemical_formula_sum '[Cs4 Cu4 H8]'
_cell_volume [304.0681]
_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
[
  Cs  Cs0  4  0.0716  0.7500  0.1537  1.0
  Cu  Cu1  4  0.0451  0.2500  0.4419  1.0
  H  H2  4  0.1160  0.2500  0.3326  1.0
  H  H3  4  0.1645  0.7500  0.4805  1.0
]