data_[Li4Nb1V3Cr2P6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6108]
_cell_length_b [8.6618]
_cell_length_c [8.8921]
_cell_angle_alpha [62.0870]
_cell_angle_beta [62.3066]
_cell_angle_gamma [62.7542]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4NbV3Cr2(PO4)6]
_chemical_formula_sum '[Li4 Nb1 V3 Cr2 P6 O24]'
_cell_volume [493.8529]
_cell_formula_units_Z [1]
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  0.2955  0.8492  0.6528  1
  Li  Li1  1  0.6444  0.2945  0.8452  1
  Li  Li2  1  0.7467  0.1475  0.3511  1
  Li  Li3  1  0.8569  0.6466  0.3005  1
  Nb  Nb4  1  0.8494  0.8451  0.8504  1
  V  V5  1  0.1438  0.1498  0.1462  1
  V  V6  1  0.3550  0.3534  0.3529  1
  V  V7  1  0.6491  0.6494  0.6506  1
  Cr  Cr8  1  0.0145  0.9994  0.9957  1
  Cr  Cr9  1  0.4915  0.5041  0.5010  1
  P  P10  1  0.0595  0.7431  0.4467  1
  P  P11  1  0.2467  0.5556  0.9569  1
  P  P12  1  0.4412  0.0564  0.7480  1
  P  P13  1  0.5576  0.9507  0.2518  1
  P  P14  1  0.7510  0.4324  0.0468  1
  P  P15  1  0.9327  0.2471  0.5404  1
  O  O16  1  0.0058  0.8054  0.6106  1
  O  O17  1  0.0657  0.9057  0.2709  1
  O  O18  1  0.0989  0.7627  0.9129  1
  O  O19  1  0.1017  0.2918  0.4969  1
  O  O20  1  0.1707  0.4127  0.9907  1
  O  O21  1  0.2499  0.5927  0.4409  1
  O  O22  1  0.2536  0.0817  0.8974  1
  O  O23  1  0.2950  0.5322  0.1110  1
  O  O24  1  0.4021  0.0094  0.1845  1
  O  O25  1  0.4044  0.5737  0.7701  1
  O  O26  1  0.4598  0.2370  0.5873  1
  O  O27  1  0.4698  0.9060  0.6846  1
  O  O28  1  0.5571  0.0941  0.3066  1
  O  O29  1  0.5614  0.7595  0.4109  1
  O  O30  1  0.6018  0.9975  0.8218  1
  O  O31  1  0.6062  0.4218  0.2352  1
  O  O32  1  0.6874  0.4624  0.8985  1
  O  O33  1  0.7442  0.4115  0.5661  1
  O  O34  1  0.7572  0.9031  0.1030  1
  O  O35  1  0.8195  0.5948  0.9961  1
  O  O36  1  0.9001  0.1009  0.7388  1
  O  O37  1  0.9019  0.2396  0.0723  1
  O  O38  1  0.9104  0.6716  0.4768  1
  O  O39  1  0.9399  0.1848  0.4022  1
]