data_[Mn4Al14Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5948]
_cell_length_b [7.7314]
_cell_length_c [6.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Al7Re2]
_chemical_formula_sum '[Mn4 Al14 Re4]'
_cell_volume [329.1668]
_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  0.0000  0.3169  0.5000  1
  Al  Al1  8  0.2236  0.3031  0.1998  1
  Al  Al2  4  0.1623  0.0000  0.4279  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Re  Re4  4  0.1171  0.5000  0.8590  1
]