data_[Cr4H4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.8488]
_cell_length_b [13.1482]
_cell_length_c [5.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrHF4]
_chemical_formula_sum '[Cr4 H4 F16]'
_cell_volume [325.3267]
_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
[
  Cr  Cr0  4  0.0000  0.4421  0.2500  1
  H  H1  4  0.0000  0.1605  0.7500  1
  F  F2  8  0.2144  0.4520  0.6169  1
  F  F3  8  0.2441  0.1616  0.8241  1
]