data_[Li4Mn7P6O24]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6460]
_cell_length_b [8.2990]
_cell_length_c [9.7742]
_cell_angle_alpha [101.6450]
_cell_angle_beta [106.0876]
_cell_angle_gamma [101.4105]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Mn7(PO4)6]
_chemical_formula_sum '[Li4 Mn7 P6 O24]'
_cell_volume [488.5325]
_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  0.2530  0.4970  0.3849  1
  Li  Li1  1  0.3085  0.4396  0.6673  1
  Li  Li2  1  0.4681  0.8965  0.8603  1
  Li  Li3  1  0.6989  0.5611  0.3469  1
  Mn  Mn4  1  0.0398  0.0102  0.0296  1
  Mn  Mn5  1  0.0710  0.7688  0.5519  1
  Mn  Mn6  1  0.2787  0.7990  0.2750  1
  Mn  Mn7  1  0.3556  0.4312  0.0869  1
  Mn  Mn8  1  0.6605  0.5720  0.9122  1
  Mn  Mn9  1  0.7278  0.2127  0.7217  1
  Mn  Mn10  1  0.9150  0.2335  0.4500  1
  P  P11  1  0.1035  0.6026  0.8370  1
  P  P12  1  0.2399  0.1605  0.7762  1
  P  P13  1  0.3982  0.2281  0.3790  1
  P  P14  1  0.5923  0.7735  0.6216  1
  P  P15  1  0.7611  0.8384  0.2267  1
  P  P16  1  0.9012  0.3951  0.1607  1
  O  O17  1  0.0387  0.1991  0.6744  1
  O  O18  1  0.0896  0.5826  0.6724  1
  O  O19  1  0.1175  0.5256  0.1704  1
  O  O20  1  0.1277  0.7875  0.9238  1
  O  O21  1  0.2244  0.1832  0.9356  1
  O  O22  1  0.2507  0.2885  0.4657  1
  O  O23  1  0.2512  0.9765  0.7232  1
  O  O24  1  0.2793  0.0527  0.2595  1
  O  O25  1  0.3113  0.5479  0.9083  1
  O  O26  1  0.3669  0.7476  0.4953  1
  O  O27  1  0.4485  0.3685  0.2999  1
  O  O28  1  0.4517  0.2829  0.7762  1
  O  O29  1  0.5443  0.6499  0.7149  1
  O  O30  1  0.5475  0.7116  0.2219  1
  O  O31  1  0.6087  0.2185  0.4926  1
  O  O32  1  0.6742  0.9552  0.7309  1
  O  O33  1  0.6971  0.4486  0.0862  1
  O  O34  1  0.7474  0.7303  0.5388  1
  O  O35  1  0.7539  0.0181  0.2896  1
  O  O36  1  0.7764  0.8220  0.0659  1
  O  O37  1  0.8972  0.2157  0.0794  1
  O  O38  1  0.8981  0.4766  0.8414  1
  O  O39  1  0.9179  0.4202  0.3278  1
  O  O40  1  0.9607  0.7899  0.3222  1
]