data_[Na4Mn4Cu8Br24]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6782]
_cell_length_b [12.4032]
_cell_length_c [6.9392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMn(CuBr3)2]
_chemical_formula_sum '[Na4 Mn4 Cu8 Br24]'
_cell_volume [1075.2714]
_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  0.0856  0.2500  1.0
  Mn  Mn1  4  0.0000  0.2652  0.7500  1.0
  Cu  Cu2  8  0.1758  0.4166  0.2948  1.0
  Br  Br3  8  0.1140  0.2627  0.0874  1.0
  Br  Br4  8  0.1247  0.1045  0.6460  1.0
  Br  Br5  8  0.1333  0.4117  0.6272  1.0
]