data_[Mn4Re20]
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
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2362]
_cell_length_b [7.2362]
_cell_length_c [7.2362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [MnRe5]
_chemical_formula_sum '[Mn4 Re20]'
_cell_volume [378.9034]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  Re  Re1  16  0.1262  0.1262  0.3738  1
  Re  Re2  4  0.2500  0.2500  0.7500  1
]