data_[Sr2Mg2Sn2Br12]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.8958]
_cell_length_b [6.8958]
_cell_length_c [13.1785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [SrMgSnBr6]
_chemical_formula_sum '[Sr2 Mg2 Sn2 Br12]'
_cell_volume [626.6711]
_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  0.6677  1.0
  Mg  Mg1  2  0.0000  0.0000  0.3335  1.0
  Sn  Sn2  2  0.0000  0.0000  0.9992  1.0
  Br  Br3  4  0.1852  0.8148  0.1811  1.0
  Br  Br4  4  0.1903  0.8097  0.4828  1.0
  Br  Br5  4  0.2158  0.7842  0.8358  1.0
]