data_[Na4Mn4Cd4Br20]
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
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1696]
_cell_length_b [12.1328]
_cell_length_c [10.0716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMnCdBr5]
_chemical_formula_sum '[Na4 Mn4 Cd4 Br20]'
_cell_volume [1029.0667]
_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  0.3497  0.7500  1.0
  Mn  Mn1  4  0.0000  0.3167  0.2500  1.0
  Cd  Cd2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1396  0.2009  0.1316  1.0
  Br  Br4  8  0.1740  0.4445  0.4432  1.0
  Br  Br5  4  0.0000  0.0965  0.7500  1.0
]