data_[Mn8O4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.0652]
_cell_length_b [10.5316]
_cell_length_c [12.5901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mn2OF4]
_chemical_formula_sum '[Mn8 O4 F16]'
_cell_volume [406.4274]
_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
[
  Mn  Mn0  4  0.0000  0.1616  0.2068  1
  Mn  Mn1  4  0.0000  0.2216  0.9022  1
  O  O2  4  0.0000  0.2321  0.7506  1
  F  F3  4  0.0000  0.1464  0.3884  1
  F  F4  4  0.0000  0.2263  0.0516  1
  F  F5  4  0.0000  0.3986  0.4004  1
  F  F6  4  0.0000  0.4518  0.6773  1
]