data_[Zr4Co4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.0454]
_cell_length_b [7.9033]
_cell_length_c [5.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZrCoH4]
_chemical_formula_sum '[Zr4 Co4 H16]'
_cell_volume [192.0539]
_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
[
  Zr  Zr0  4  0.0000  0.3738  0.7500  1
  Co  Co1  4  0.0000  0.0298  0.7500  1
  H  H2  8  0.0356  0.1329  0.0474  1
  H  H3  8  0.1667  0.4061  0.1695  1
]