data_[Hf4Co12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.2367]
_cell_length_b [5.2407]
_cell_length_c [7.7051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [HfCo3H]
_chemical_formula_sum '[Hf4 Co12 H4]'
_cell_volume [211.4598]
_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
[
  Hf  Hf0  4  0.0000  0.5000  0.2331  1.0
  Co  Co1  8  0.2429  0.2527  0.5000  1.0
  Co  Co2  4  0.0000  0.0000  0.2516  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  H  H4  2  0.0000  0.5000  0.5000  1.0
]