data_[Mn39Si6Sb3O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [11.8181]
_cell_length_b [11.8181]
_cell_length_c [11.1543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Mn13Si2SbO24]
_chemical_formula_sum '[Mn39 Si6 Sb3 O72]'
_cell_volume [1349.1801]
_cell_formula_units_Z [3]
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  6  0.1584  0.3302  0.2589  1
  Mn  Mn1  6  0.1684  0.6728  0.4891  1
  Mn  Mn2  6  0.1692  0.6703  0.9905  1
  Mn  Mn3  6  0.1711  0.5071  0.7220  1
  Mn  Mn4  3  0.0000  0.1619  0.7296  1
  Mn  Mn5  3  0.0000  0.3382  0.4903  1
  Mn  Mn6  3  0.0000  0.5225  0.2572  1
  Mn  Mn7  3  0.0000  0.8328  0.9911  1
  Mn  Mn8  3  0.0000  0.8340  0.5010  1
  Si  Si9  3  0.0000  0.6674  0.7486  1
  Si  Si10  2  0.3333  0.6667  0.2333  1
  Si  Si11  1  0.0000  0.0000  0.2259  1
  Sb  Sb12  3  0.0000  0.3405  0.9916  1
  O  O13  6  0.1292  0.6694  0.6954  1
  O  O14  6  0.1430  0.8164  0.4355  1
  O  O15  6  0.1480  0.4869  0.8977  1
  O  O16  6  0.1483  0.3420  0.0830  1
  O  O17  6  0.1895  0.5269  0.5438  1
  O  O18  6  0.2077  0.6744  0.2846  1
  O  O19  3  0.0000  0.1302  0.2739  1
  O  O20  3  0.0000  0.1392  0.5554  1
  O  O21  3  0.0000  0.1901  0.9018  1
  O  O22  3  0.0000  0.3354  0.6925  1
  O  O23  3  0.0000  0.3548  0.2904  1
  O  O24  3  0.0000  0.4928  0.0821  1
  O  O25  3  0.0000  0.5383  0.4343  1
  O  O26  3  0.0000  0.6695  0.8980  1
  O  O27  3  0.0000  0.6924  0.2245  1
  O  O28  3  0.0000  0.7963  0.6971  1
  O  O29  2  0.3333  0.6667  0.0837  1
  O  O30  2  0.3333  0.6667  0.7587  1
  O  O31  1  0.0000  0.0000  0.0751  1
  O  O32  1  0.0000  0.0000  0.7739  1
]