data_[Mn2Re4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1670]
_cell_length_b [2.9413]
_cell_length_c [4.6932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnRe2Br]
_chemical_formula_sum '[Mn2 Re4 Br2]'
_cell_volume [126.2960]
_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  0.2322  0.5000  0.2356  1
  Re  Re1  2  0.0003  0.0000  0.0057  1
  Re  Re2  2  0.2700  0.0000  0.7989  1
  Br  Br3  2  0.4975  0.0000  0.4597  1
]