data_[Mn12P8O60]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.5584]
_cell_length_b [12.7437]
_cell_length_c [7.9578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn3P2O15]
_chemical_formula_sum '[Mn12 P8 O60]'
_cell_volume [1115.1718]
_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  0.0003  0.1236  0.0519  1
  Mn  Mn1  4  0.0009  0.1215  0.4252  1
  Mn  Mn2  4  0.3307  0.1314  0.5714  1
  P  P3  4  0.1762  0.5615  0.8370  1
  P  P4  4  0.1788  0.2050  0.8243  1
  O  O5  4  0.0607  0.7412  0.0145  1
  O  O6  4  0.0839  0.5318  0.9450  1
  O  O7  4  0.0914  0.5901  0.2993  1
  O  O8  4  0.1010  0.5321  0.6372  1
  O  O9  4  0.1027  0.1873  0.2829  1
  O  O10  4  0.1223  0.1351  0.9327  1
  O  O11  4  0.1731  0.1512  0.6450  1
  O  O12  4  0.2154  0.6738  0.8598  1
  O  O13  4  0.2808  0.0190  0.3972  1
  O  O14  4  0.3105  0.2340  0.9197  1
  O  O15  4  0.3389  0.6624  0.4602  1
  O  O16  4  0.4434  0.0394  0.1739  1
  O  O17  4  0.4462  0.5241  0.2906  1
  O  O18  4  0.4784  0.6523  0.8843  1
  O  O19  4  0.4923  0.2001  0.7375  1
]