data_[Mn4Br2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4443]
_cell_length_b [11.5102]
_cell_length_c [18.6093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn2BrCl3]
_chemical_formula_sum '[Mn4 Br2 Cl6]'
_cell_volume [1380.3457]
_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  4  0.0414  0.1399  0.5009  1
  Br  Br1  2  0.1137  0.0000  0.3985  1
  Cl  Cl2  4  0.1718  0.3302  0.5036  1
  Cl  Cl3  2  0.1131  0.0000  0.5925  1
]