data_[Ho8Cu8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [4.6107]
_cell_length_b [11.1373]
_cell_length_c [6.5837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [HoCuH]
_chemical_formula_sum '[Ho8 Cu8 H8]'
_cell_volume [338.0756]
_cell_formula_units_Z [8]
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
[
  Ho  Ho0  8  0.0000  0.1429  0.5707  1
  Cu  Cu1  8  0.0000  0.0748  0.1598  1
  H  H2  8  0.0000  0.1715  0.9356  1
]