data_[Mn2In4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9721]
_cell_length_b [6.7931]
_cell_length_c [5.2402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnIn2F8]
_chemical_formula_sum '[Mn2 In4 F16]'
_cell_volume [309.7732]
_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  0.0000  0.0000  0.0000  1
  In  In1  4  0.1805  0.5000  0.4373  1
  F  F2  8  0.1450  0.1934  0.2984  1
  F  F3  4  0.0633  0.5000  0.7464  1
  F  F4  4  0.1673  0.0000  0.7989  1
]