data_[K4Mn4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [14.2707]
_cell_length_b [12.5974]
_cell_length_c [8.0458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMn(CuBr3)2]
_chemical_formula_sum '[K4 Mn4 Cu8 Br24]'
_cell_volume [1321.6533]
_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
[
  K  K0  4  0.0000  0.1602  0.2500  1.0
  Mn  Mn1  4  0.0000  0.1911  0.7500  1.0
  Cu  Cu2  8  0.1925  0.4500  0.1896  1.0
  Br  Br3  8  0.1158  0.0700  0.6739  1.0
  Br  Br4  8  0.1172  0.2744  0.0302  1.0
  Br  Br5  8  0.1520  0.4244  0.4477  1.0
]