data_[K3Mn2Sn1Br9]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7217]
_cell_length_b [7.7217]
_cell_length_c [9.8253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Mn2SnBr9]
_chemical_formula_sum '[K3 Mn2 Sn1 Br9]'
_cell_volume [507.3407]
_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  0.7210  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Mn  Mn2  2  0.3333  0.6667  0.1615  1
  Sn  Sn3  1  0.0000  0.0000  0.5000  1
  Br  Br4  6  0.1708  0.3416  0.3123  1
  Br  Br5  3  0.0000  0.5000  0.0000  1
]