data_[Li8Mn4V12O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.2066]
_cell_length_b [8.5325]
_cell_length_c [8.6691]
_cell_angle_alpha [89.9958]
_cell_angle_beta [89.8655]
_cell_angle_gamma [89.9210]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2MnV3O8]
_chemical_formula_sum '[Li8 Mn4 V12 O32]'
_cell_volume [607.0331]
_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
[
  Li  Li0  1  0.0042  0.0021  0.9984  1
  Li  Li1  1  0.2461  0.2486  0.7494  1
  Li  Li2  1  0.2537  0.7494  0.2514  1
  Li  Li3  1  0.4969  0.5002  0.9996  1
  Li  Li4  1  0.5034  0.9989  0.5008  1
  Li  Li5  1  0.7476  0.7516  0.7507  1
  Li  Li6  1  0.7536  0.2507  0.2500  1
  Li  Li7  1  0.9964  0.5001  0.5007  1
  Mn  Mn8  1  0.1235  0.3754  0.1243  1
  Mn  Mn9  1  0.3765  0.8753  0.8728  1
  Mn  Mn10  1  0.6246  0.6243  0.3735  1
  Mn  Mn11  1  0.8773  0.1213  0.6286  1
  V  V12  1  0.1255  0.6253  0.8714  1
  V  V13  1  0.1263  0.1233  0.3751  1
  V  V14  1  0.1275  0.8741  0.6199  1
  V  V15  1  0.3702  0.3761  0.3817  1
  V  V16  1  0.3743  0.6220  0.6285  1
  V  V17  1  0.3767  0.1278  0.1298  1
  V  V18  1  0.6182  0.3728  0.6317  1
  V  V19  1  0.6252  0.1268  0.8795  1
  V  V20  1  0.6259  0.8764  0.1256  1
  V  V21  1  0.8730  0.6244  0.1162  1
  V  V22  1  0.8762  0.8727  0.3709  1
  V  V23  1  0.8773  0.3776  0.8671  1
  O  O24  1  0.1033  0.6184  0.1141  1
  O  O25  1  0.1134  0.3907  0.8812  1
  O  O26  1  0.1145  0.1080  0.6095  1
  O  O27  1  0.1206  0.8903  0.3888  1
  O  O28  1  0.1339  0.1353  0.1468  1
  O  O29  1  0.1399  0.8629  0.8552  1
  O  O30  1  0.1406  0.6387  0.6287  1
  O  O31  1  0.1406  0.3598  0.3739  1
  O  O32  1  0.3581  0.8592  0.6267  1
  O  O33  1  0.3583  0.1387  0.3716  1
  O  O34  1  0.3617  0.3637  0.1471  1
  O  O35  1  0.3669  0.6347  0.8552  1
  O  O36  1  0.3708  0.3903  0.6111  1
  O  O37  1  0.3868  0.6080  0.3909  1
  O  O38  1  0.3950  0.1175  0.8865  1
  O  O39  1  0.3975  0.8892  0.1209  1
  O  O40  1  0.6027  0.6123  0.6216  1
  O  O41  1  0.6043  0.3807  0.3925  1
  O  O42  1  0.6140  0.8918  0.8906  1
  O  O43  1  0.6217  0.1114  0.1098  1
  O  O44  1  0.6325  0.3615  0.8641  1
  O  O45  1  0.6340  0.8638  0.3546  1
  O  O46  1  0.6413  0.1385  0.6414  1
  O  O47  1  0.6423  0.6407  0.1259  1
  O  O48  1  0.8573  0.1390  0.8716  1
  O  O49  1  0.8589  0.8615  0.1288  1
  O  O50  1  0.8605  0.6365  0.3534  1
  O  O51  1  0.8708  0.3709  0.6527  1
  O  O52  1  0.8804  0.6100  0.8865  1
  O  O53  1  0.8854  0.3888  0.1014  1
  O  O54  1  0.8950  0.1125  0.3856  1
  O  O55  1  0.8970  0.8779  0.6133  1
]