data_[K1Mn2Ni1Br8]
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
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.7527]
_cell_length_b [6.7527]
_cell_length_c [9.2582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [KMn2NiBr8]
_chemical_formula_sum '[K1 Mn2 Ni1 Br8]'
_cell_volume [365.6052]
_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  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.3333  0.6667  0.2783  1.0
  Ni  Ni2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  6  0.0132  0.3082  0.6621  1.0
  Br  Br4  2  0.3333  0.6667  0.0207  1.0
]