data_[Mo8P8N8Cl48O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.0752]
_cell_length_b [15.1385]
_cell_length_c [13.9367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MoPNCl6O]
_chemical_formula_sum '[Mo8 P8 N8 Cl48 O8]'
_cell_volume [2225.7197]
_cell_formula_units_Z [8]
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
[
  Mo  Mo0  4  0.0157  0.6755  0.4820  1
  Mo  Mo1  4  0.2487  0.0163  0.0569  1
  P  P2  4  0.2200  0.6185  0.0320  1
  P  P3  4  0.4246  0.2363  0.0765  1
  N  N4  4  0.1009  0.1037  0.0347  1
  N  N5  4  0.1618  0.5783  0.5264  1
  Cl  Cl6  4  0.0052  0.6594  0.3111  1
  Cl  Cl7  4  0.1011  0.1943  0.5637  1
  Cl  Cl8  4  0.1102  0.6922  0.6714  1
  Cl  Cl9  4  0.1323  0.5416  0.8993  1
  Cl  Cl10  4  0.1828  0.5639  0.1442  1
  Cl  Cl11  4  0.1932  0.0567  0.8769  1
  Cl  Cl12  4  0.2955  0.0274  0.2413  1
  Cl  Cl13  4  0.3270  0.2129  0.4253  1
  Cl  Cl14  4  0.4050  0.5960  0.0896  1
  Cl  Cl15  4  0.4063  0.7046  0.4069  1
  Cl  Cl16  4  0.4503  0.5332  0.6023  1
  Cl  Cl17  4  0.4595  0.1627  0.6794  1
  O  O18  4  0.1881  0.7135  0.0112  1
  O  O19  4  0.3604  0.1620  0.0988  1
]