data_[Mn1Ag1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2945]
_cell_length_b [6.7999]
_cell_length_c [7.2537]
_cell_angle_alpha [115.5444]
_cell_angle_beta [115.6762]
_cell_angle_gamma [90.1759]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnAgBr6]
_chemical_formula_sum '[Mn1 Ag1 Br6]'
_cell_volume [245.4817]
_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
[
  Mn  Mn0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.5000  0.0000  1.0
  Br  Br2  2  0.0167  0.1951  0.3721  1.0
  Br  Br3  2  0.2456  0.7699  0.1596  1.0
  Br  Br4  2  0.3942  0.2674  0.1723  1.0
]