data_[Mn2Cd2H4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2772]
_cell_length_b [5.9079]
_cell_length_c [6.5221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCdH2F8]
_chemical_formula_sum '[Mn2 Cd2 H4 F16]'
_cell_volume [318.4195]
_cell_formula_units_Z [2]
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
[
  Mn  Mn0  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  H  H2  4  0.2338  0.5000  0.7333  1.0
  F  F3  8  0.0187  0.2132  0.7947  1.0
  F  F4  4  0.2220  0.0000  0.0548  1.0
  F  F5  4  0.2298  0.5000  0.5772  1.0
]