data_[Sr12Ge2As4I6]
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
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9858]
_cell_length_b [13.9116]
_cell_length_c [8.4638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6GeAs2I3]
_chemical_formula_sum '[Sr12 Ge2 As4 I6]'
_cell_volume [891.6667]
_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  8  0.2350  0.1688  0.2013  1
  Sr  Sr1  4  0.2305  0.5000  0.2026  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  As  As3  4  0.0000  0.3340  0.0000  1
  I  I4  4  0.0000  0.1684  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]