data_[Li6V3Cr3P6H6O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4270]
_cell_length_b [7.4525]
_cell_length_c [14.4585]
_cell_angle_alpha [95.1923]
_cell_angle_beta [92.5767]
_cell_angle_gamma [110.4900]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2VCrP2(HO5)2]
_chemical_formula_sum '[Li6 V3 Cr3 P6 H6 O30]'
_cell_volume [543.6795]
_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
[
  Li  Li0  1  0.0674  0.4646  0.6413  1
  Li  Li1  1  0.2657  0.8683  0.6922  1
  Li  Li2  1  0.4005  0.7975  0.9740  1
  Li  Li3  1  0.5995  0.2025  0.0251  1
  Li  Li4  1  0.7343  0.1321  0.3083  1
  Li  Li5  1  0.9324  0.5350  0.3590  1
  V  V6  1  0.0000  0.9998  0.9995  1
  V  V7  1  0.6657  0.6665  0.1669  1
  V  V8  1  0.9999  0.9999  0.5001  1
  Cr  Cr9  1  0.3338  0.3337  0.3335  1
  Cr  Cr10  1  0.3344  0.3334  0.8330  1
  Cr  Cr11  1  0.6662  0.6666  0.6669  1
  P  P12  1  0.0205  0.3804  0.1486  1
  P  P13  1  0.3131  0.9542  0.1857  1
  P  P14  1  0.3543  0.7122  0.4814  1
  P  P15  1  0.6454  0.2878  0.5189  1
  P  P16  1  0.6876  0.0481  0.8141  1
  P  P17  1  0.9790  0.6173  0.8513  1
  H  H18  1  0.0467  0.9883  0.3259  1
  H  H19  1  0.2882  0.3477  0.0060  1
  H  H20  1  0.3818  0.3215  0.6608  1
  H  H21  1  0.6196  0.6780  0.3411  1
  H  H22  1  0.7095  0.6529  0.9917  1
  H  H23  1  0.9535  0.0115  0.6743  1
  O  O24  1  0.0370  0.3754  0.2564  1
  O  O25  1  0.0427  0.8389  0.2185  1
  O  O26  1  0.0496  0.0972  0.3713  1
  O  O27  1  0.0809  0.8261  0.9006  1
  O  O28  1  0.1377  0.7921  0.4518  1
  O  O29  1  0.1967  0.5396  0.8814  1
  O  O30  1  0.2526  0.5027  0.4327  1
  O  O31  1  0.2853  0.2384  0.9608  1
  O  O32  1  0.2901  0.4952  0.1149  1
  O  O33  1  0.2988  0.9591  0.0776  1
  O  O34  1  0.3702  0.7074  0.5894  1
  O  O35  1  0.3760  0.1721  0.5522  1
  O  O36  1  0.3803  0.4305  0.7053  1
  O  O37  1  0.4144  0.1637  0.2342  1
  O  O38  1  0.4700  0.1258  0.7841  1
  O  O39  1  0.5285  0.8739  0.2159  1
  O  O40  1  0.5872  0.8385  0.7655  1
  O  O41  1  0.6182  0.5693  0.2959  1
  O  O42  1  0.6236  0.8279  0.4480  1
  O  O43  1  0.6297  0.2923  0.4109  1
  O  O44  1  0.7025  0.0424  0.9221  1
  O  O45  1  0.7071  0.5031  0.8848  1
  O  O46  1  0.7180  0.7620  0.0379  1
  O  O47  1  0.7466  0.4972  0.5676  1
  O  O48  1  0.8050  0.4606  0.1185  1
  O  O49  1  0.8622  0.2080  0.5485  1
  O  O50  1  0.9182  0.1716  0.0995  1
  O  O51  1  0.9498  0.9024  0.6289  1
  O  O52  1  0.9601  0.1630  0.7816  1
  O  O53  1  0.9621  0.6236  0.7436  1
]