data_[Na4Mn4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3826]
_cell_length_b [12.0823]
_cell_length_c [10.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMnSnBr5]
_chemical_formula_sum '[Na4 Mn4 Sn4 Br20]'
_cell_volume [1112.4916]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3272  0.7500  1.0
  Sn  Sn2  4  0.0000  0.3355  0.2500  1.0
  Br  Br3  8  0.1499  0.1998  0.6624  1.0
  Br  Br4  8  0.1588  0.4542  0.9401  1.0
  Br  Br5  4  0.0000  0.1084  0.2500  1.0
]