data_[Mn2Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [11.2832]
_cell_length_b [11.2832]
_cell_length_c [17.9834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [MnBr7]
_chemical_formula_sum '[Mn2 Br14]'
_cell_volume [2289.4998]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5097  1
  Br  Br1  8  0.0328  0.2121  0.4734  1
  Br  Br2  4  0.1396  0.6396  0.4786  1
  Br  Br3  2  0.0000  0.0000  0.6393  1
]