data_[Mn6O4F8]
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 [P2_1]
_cell_length_a [4.7802]
_cell_length_b [4.6685]
_cell_length_c [9.8246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Mn3(OF2)2]
_chemical_formula_sum '[Mn6 O4 F8]'
_cell_volume [219.2390]
_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  0.2453  0.5337  0.7496  1.0
  Mn  Mn1  2  0.2902  0.4992  0.0753  1.0
  Mn  Mn2  2  0.2919  0.4995  0.4243  1.0
  O  O3  2  0.4405  0.6955  0.9210  1.0
  O  O4  2  0.4466  0.6942  0.5746  1.0
  F  F5  2  0.0175  0.2832  0.5860  1.0
  F  F6  2  0.0215  0.2878  0.9120  1.0
  F  F7  2  0.1033  0.3180  0.2533  1.0
  F  F8  2  0.4808  0.6887  0.2511  1.0
]