data_[Sr4Ge2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.5717]
_cell_length_b [7.5717]
_cell_length_c [14.4298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sr2GeI6]
_chemical_formula_sum '[Sr4 Ge2 I12]'
_cell_volume [827.2720]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.3337  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1912  0.8088  0.1554  1.0
  I  I3  4  0.2122  0.7878  0.5000  1.0
]