data_[Mn4Ir8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7980]
_cell_length_b [8.7980]
_cell_length_c [10.1603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [MnIr2F11]
_chemical_formula_sum '[Mn4 Ir8 F44]'
_cell_volume [786.4583]
_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  0.0000  0.2500  1
  Ir  Ir1  8  0.1629  0.3371  0.0000  1
  F  F2  32  0.0574  0.2189  0.1342  1
  F  F3  8  0.1879  0.3121  0.5000  1
  F  F4  4  0.0000  0.5000  0.0000  1
]