data_[Hf2Mn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4510]
_cell_length_b [7.1682]
_cell_length_c [4.5231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfMn2F8]
_chemical_formula_sum '[Hf2 Mn4 F16]'
_cell_volume [300.7459]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.1347  0.5000  0.3159  1.0
  F  F2  8  0.1171  0.2022  0.2430  1.0
  F  F3  4  0.0944  0.5000  0.7726  1.0
  F  F4  4  0.1494  0.0000  0.7415  1.0
]