data_[Mn4Al2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3010]
_cell_length_b [6.7961]
_cell_length_c [4.7378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2AlF8]
_chemical_formula_sum '[Mn4 Al2 F16]'
_cell_volume [256.7674]
_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  4  0.1827  0.5000  0.4408  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1318  0.1820  0.2562  1.0
  F  F3  4  0.0664  0.5000  0.7555  1.0
  F  F4  4  0.1499  0.0000  0.7889  1.0
]