data_[Mg2In2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0831]
_cell_length_b [5.6139]
_cell_length_c [6.1815]
_cell_angle_alpha [104.6900]
_cell_angle_beta [99.6260]
_cell_angle_gamma [91.3873]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgInF4]
_chemical_formula_sum '[Mg2 In2 F8]'
_cell_volume [167.8156]
_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
[
  Mg  Mg0  1  0.2324  0.1357  0.5198  1.0
  Mg  Mg1  1  0.7438  0.6287  0.4617  1.0
  In  In2  1  0.0889  0.6743  0.9549  1.0
  In  In3  1  0.5226  0.0149  0.0663  1.0
  F  F4  1  0.0454  0.8753  0.5975  1.0
  F  F5  1  0.4328  0.2456  0.8431  1.0
  F  F6  1  0.4583  0.3339  0.3541  1.0
  F  F7  1  0.4920  0.8816  0.3975  1.0
  F  F8  1  0.6828  0.7342  0.7952  1.0
  F  F9  1  0.8683  0.5326  0.1635  1.0
  F  F10  1  0.9371  0.0512  0.2056  1.0
  F  F11  1  0.9929  0.4048  0.6184  1.0
]