data_[Cu6H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.3744]
_cell_length_b [6.3200]
_cell_length_c [18.5043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cu3H4]
_chemical_formula_sum '[Cu6 H8]'
_cell_volume [394.6298]
_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
[
  Cu  Cu0  4  0.0000  0.2875  0.5728  1
  Cu  Cu1  2  0.0000  0.5000  0.4255  1
  H  H2  4  0.0000  0.2379  0.4053  1
  H  H3  2  0.0000  0.0000  0.5910  1
  H  H4  2  0.0000  0.5000  0.5228  1
]