data_[Mn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [6.0281]
_cell_length_b [6.0281]
_cell_length_c [6.0281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [213]
_chemical_formula_structural [Mn]
_chemical_formula_sum '[Mn20]'
_cell_volume [219.0513]
_cell_formula_units_Z [20]
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  12  0.0529  0.8750  0.6971  1.0
  Mn  Mn1  8  0.0534  0.0534  0.0534  1.0
]