data_[Ba1Mg1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-1]
_cell_length_a [6.7752]
_cell_length_b [7.1203]
_cell_length_c [9.1402]
_cell_angle_alpha [89.3700]
_cell_angle_beta [89.8556]
_cell_angle_gamma [88.3047]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaMg(SnBr4)2]
_chemical_formula_sum '[Ba1 Mg1 Sn2 Br8]'
_cell_volume [440.7155]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4900  0.4868  0.7691  1.0
  Br  Br3  2  0.2187  0.8343  0.7906  1.0
  Br  Br4  2  0.2414  0.8590  0.2121  1.0
  Br  Br5  2  0.2430  0.3213  0.9840  1.0
  Br  Br6  2  0.2746  0.3605  0.5191  1.0
]