data_[Na2Mn1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1715]
_cell_length_b [7.3115]
_cell_length_c [7.5165]
_cell_angle_alpha [67.2262]
_cell_angle_beta [65.8676]
_cell_angle_gamma [63.9859]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2MnAuBr6]
_chemical_formula_sum '[Na2 Mn1 Au1 Br6]'
_cell_volume [312.6932]
_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
[
  Na  Na0  1  0.0007  0.0319  0.0184  1
  Na  Na1  1  0.4351  0.4709  0.6131  1
  Mn  Mn2  1  0.6522  0.7044  0.9768  1
  Au  Au3  1  0.2428  0.1058  0.2813  1
  Br  Br4  1  0.3397  0.5944  0.2058  1
  Br  Br5  1  0.4282  0.0398  0.7665  1
  Br  Br6  1  0.6158  0.8664  0.2513  1
  Br  Br7  1  0.7609  0.4546  0.7800  1
  Br  Br8  1  0.8657  0.2992  0.2949  1
  Br  Br9  1  0.9973  0.7709  0.7966  1
]