data_[Sr6Mg2I4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5446]
_cell_length_b [8.3577]
_cell_length_c [6.8620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Mg(ICl3)2]
_chemical_formula_sum '[Sr6 Mg2 I4 Cl12]'
_cell_volume [829.4051]
_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  0.2500  0.2500  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  I  I3  4  0.1990  0.5000  0.8320  1
  Cl  Cl4  8  0.0635  0.2387  0.2873  1
  Cl  Cl5  4  0.1537  0.0000  0.6887  1
]