data_[Ba1Na1Mn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7678]
_cell_length_b [7.7678]
_cell_length_c [9.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaNa(MnBr4)2]
_chemical_formula_sum '[Ba1 Na1 Mn2 Br8]'
_cell_volume [485.6233]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.3333  0.6667  0.3142  1.0
  Br  Br3  6  0.1615  0.3229  0.2266  1.0
  Br  Br4  2  0.3333  0.6667  0.5714  1.0
]