data_[Na1Mg1Sn2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P1]
_cell_length_a [7.3531]
_cell_length_b [7.4403]
_cell_length_c [7.7400]
_cell_angle_alpha [84.9336]
_cell_angle_beta [69.6483]
_cell_angle_gamma [61.6311]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaMg(SnBr3)2]
_chemical_formula_sum '[Na1 Mg1 Sn2 Br6]'
_cell_volume [347.8134]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.5366  0.2443  0.5461  1
  Mg  Mg1  1  0.6690  0.6692  0.0066  1
  Sn  Sn2  1  0.0114  0.5005  0.4683  1
  Sn  Sn3  1  0.0304  0.9825  0.9786  1
  Br  Br4  1  0.0917  0.5974  0.7918  1
  Br  Br5  1  0.2589  0.7375  0.2189  1
  Br  Br6  1  0.4914  0.9376  0.7897  1
  Br  Br7  1  0.6471  0.9497  0.2183  1
  Br  Br8  1  0.7536  0.3555  0.7697  1
  Br  Br9  1  0.8331  0.3641  0.2271  1
]