data_[Na1V1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6428]
_cell_length_b [8.4497]
_cell_length_c [6.9949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaV(SnBr4)2]
_chemical_formula_sum '[Na1 V1 Sn2 Br8]'
_cell_volume [392.3528]
_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  0.0000  0.5000  0.0000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.5000  0.2415  0.5000  1.0
  Br  Br3  4  0.2293  0.2216  0.1426  1.0
  Br  Br4  2  0.2051  0.0000  0.6983  1.0
  Br  Br5  2  0.2733  0.5000  0.6514  1.0
]