data_[Sr2Mg4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2491]
_cell_length_b [4.8924]
_cell_length_c [8.7701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMg2Cl6]
_chemical_formula_sum '[Sr2 Mg4 Cl12]'
_cell_volume [555.8973]
_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  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  4  0.2365  0.0000  0.1658  1.0
  Cl  Cl2  4  0.0710  0.0000  0.2144  1.0
  Cl  Cl3  4  0.1331  0.5000  0.5958  1.0
  Cl  Cl4  4  0.2260  0.0000  0.8761  1.0
]