data_[Mn20P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [8.5314]
_cell_length_b [8.5314]
_cell_length_c [5.1721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [108]
_chemical_formula_structural [Mn5P3]
_chemical_formula_sum '[Mn20 P12]'
_cell_volume [376.4493]
_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  16  0.0707  0.2134  0.0384  1.0
  Mn  Mn1  4  0.0000  0.5000  0.1942  1.0
  P  P2  8  0.1622  0.3378  0.4350  1.0
  P  P3  4  0.0000  0.0000  0.2795  1.0
]