data_[Na2Mg2In2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8660]
_cell_length_b [8.3383]
_cell_length_c [9.2817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaMgInI4]
_chemical_formula_sum '[Na2 Mg2 In2 I8]'
_cell_volume [583.8412]
_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
[
  Na  Na0  2  0.2310  0.2500  0.5643  1.0
  Mg  Mg1  2  0.2446  0.7500  0.3192  1.0
  In  In2  2  0.2154  0.2500  0.0521  1.0
  I  I3  4  0.0038  0.0010  0.2666  1.0
  I  I4  2  0.4454  0.7500  0.1232  1.0
  I  I5  2  0.4636  0.7500  0.6055  1.0
]