data_[Cr5H9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [5.0206]
_cell_length_b [5.0206]
_cell_length_c [18.7719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Cr5H9]
_chemical_formula_sum '[Cr5 H9]'
_cell_volume [409.7820]
_cell_formula_units_Z [1]
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
[
  Cr  Cr0  3  0.0000  0.5000  0.5228  1
  Cr  Cr1  2  0.3333  0.6667  0.4275  1
  H  H2  6  0.1802  0.3604  0.5755  1
  H  H3  3  0.0000  0.5000  0.3745  1
]