data_[Mn24Re8H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4165]
_cell_length_b [10.4522]
_cell_length_c [4.5190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn3ReH]
_chemical_formula_sum '[Mn24 Re8 H8]'
_cell_volume [397.5451]
_cell_formula_units_Z [8]
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  8  0.1267  0.1896  0.9128  1.0
  Mn  Mn1  8  0.1278  0.0654  0.4208  1.0
  Mn  Mn2  8  0.1377  0.3069  0.4153  1.0
  Re  Re3  8  0.1341  0.4314  0.9189  1.0
  H  H4  4  0.0000  0.0598  0.7500  1.0
  H  H5  4  0.0000  0.1861  0.2500  1.0
]