data_[Mn2In2F8]
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 [P-1]
_cell_length_a [5.1091]
_cell_length_b [5.2986]
_cell_length_c [6.7653]
_cell_angle_alpha [107.4848]
_cell_angle_beta [110.2881]
_cell_angle_gamma [94.0813]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnInF4]
_chemical_formula_sum '[Mn2 In2 F8]'
_cell_volume [160.6669]
_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  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  1  0.5000  0.5000  0.0000  1.0
  In  In2  2  0.3126  0.7944  0.5044  1.0
  F  F3  2  0.0155  0.7512  0.6491  1.0
  F  F4  2  0.0696  0.2866  0.8193  1.0
  F  F5  2  0.3861  0.8779  0.1055  1.0
  F  F6  2  0.4361  0.4332  0.2819  1.0
]