data_[Cs2Mg2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0709]
_cell_length_b [8.0234]
_cell_length_c [8.3545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMgI3]
_chemical_formula_sum '[Cs2 Mg2 I6]'
_cell_volume [475.3398]
_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
[
  Cs  Cs0  2  0.2634  0.2500  0.1971  1.0
  Mg  Mg1  2  0.0595  0.7500  0.4611  1.0
  I  I2  4  0.2125  0.5029  0.7496  1.0
  I  I3  2  0.2927  0.7500  0.3059  1.0
]