data_[Li6Cr4P6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [8.3675]
_cell_length_b [8.3783]
_cell_length_c [8.9804]
_cell_angle_alpha [62.3293]
_cell_angle_beta [89.9889]
_cell_angle_gamma [60.1048]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3Cr2(PO4)3]
_chemical_formula_sum '[Li6 Cr4 P6 O24]'
_cell_volume [460.9310]
_cell_formula_units_Z [2]
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  0.0788  0.5994  0.1344  1
  Li  Li1  1  0.2544  0.9315  0.6266  1
  Li  Li2  1  0.3281  0.9348  0.1351  1
  Li  Li3  1  0.6715  0.0637  0.8565  1
  Li  Li4  1  0.7308  0.1892  0.1378  1
  Li  Li5  1  0.9179  0.4194  0.8484  1
  Cr  Cr6  1  0.1435  0.7116  0.4320  1
  Cr  Cr7  1  0.3455  0.3064  0.0413  1
  Cr  Cr8  1  0.6477  0.6999  0.9552  1
  Cr  Cr9  1  0.8533  0.2885  0.5639  1
  P  P10  1  0.0387  0.2116  0.2436  1
  P  P11  1  0.2505  0.2105  0.7474  1
  P  P12  1  0.4633  0.4973  0.2510  1
  P  P13  1  0.5395  0.5041  0.7470  1
  P  P14  1  0.7474  0.7901  0.2498  1
  P  P15  1  0.9618  0.7887  0.7518  1
  O  O16  1  0.0003  0.8104  0.5802  1
  O  O17  1  0.0128  0.1831  0.4211  1
  O  O18  1  0.1276  0.1317  0.7187  1
  O  O19  1  0.1327  0.9898  0.2585  1
  O  O20  1  0.1542  0.6275  0.9085  1
  O  O21  1  0.1676  0.2995  0.1927  1
  O  O22  1  0.2001  0.4192  0.5825  1
  O  O23  1  0.2061  0.2462  0.9055  1
  O  O24  1  0.2553  0.6096  0.2666  1
  O  O25  1  0.3798  0.6380  0.5755  1
  O  O26  1  0.4680  0.0283  0.8030  1
  O  O27  1  0.4759  0.6876  0.1079  1
  O  O28  1  0.4930  0.3405  0.1904  1
  O  O29  1  0.5088  0.6681  0.7987  1
  O  O30  1  0.5310  0.9750  0.1935  1
  O  O31  1  0.5364  0.3095  0.8998  1
  O  O32  1  0.6135  0.3702  0.4273  1
  O  O33  1  0.7459  0.3894  0.7305  1
  O  O34  1  0.7897  0.7520  0.0922  1
  O  O35  1  0.8024  0.5821  0.4181  1
  O  O36  1  0.8265  0.7071  0.8009  1
  O  O37  1  0.8405  0.3682  0.0930  1
  O  O38  1  0.8675  0.0111  0.7369  1
  O  O39  1  0.8752  0.8698  0.2670  1
]