data_[K3Mn1Cu2Br8]
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 [P-3m1]
_cell_length_a [7.4367]
_cell_length_b [7.4367]
_cell_length_c [9.3856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Mn(CuBr4)2]
_chemical_formula_sum '[K3 Mn1 Cu2 Br8]'
_cell_volume [449.5248]
_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
[
  K  K0  2  0.3333  0.6667  0.3785  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  2  0.3333  0.6667  0.7938  1.0
  Br  Br4  6  0.1626  0.3252  0.6686  1.0
  Br  Br5  2  0.3333  0.6667  0.0404  1.0
]