data_[Mg2Sb2I2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5475]
_cell_length_b [4.0226]
_cell_length_c [7.3759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgSbIO2]
_chemical_formula_sum '[Mg2 Sb2 I2 O4]'
_cell_volume [192.9122]
_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  2  0.4080  0.2500  0.1181  1
  Sb  Sb1  2  0.3259  0.2500  0.6071  1
  I  I2  2  0.0001  0.2500  0.2139  1
  O  O3  2  0.4679  0.7500  0.6067  1
  O  O4  2  0.4987  0.2500  0.8627  1
]