data_[Li5Mn2Fe3P6O24]
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
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.5483]
_cell_length_b [8.6244]
_cell_length_c [8.6329]
_cell_angle_alpha [61.7192]
_cell_angle_beta [62.0510]
_cell_angle_gamma [61.9737]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5Mn2Fe3(PO4)6]
_chemical_formula_sum '[Li5 Mn2 Fe3 P6 O24]'
_cell_volume [469.3147]
_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  0.1979  0.8512  0.6622  1
  Li  Li1  1  0.6620  0.1959  0.8522  1
  Li  Li2  1  0.7539  0.1427  0.3557  1
  Li  Li3  1  0.8452  0.8399  0.8450  1
  Li  Li4  1  0.8515  0.6614  0.1968  1
  Mn  Mn5  1  0.0076  0.9970  0.9919  1
  Mn  Mn6  1  0.4884  0.5066  0.5004  1
  Fe  Fe7  1  0.1489  0.1467  0.1413  1
  Fe  Fe8  1  0.3518  0.3569  0.3533  1
  Fe  Fe9  1  0.6504  0.6513  0.6566  1
  P  P10  1  0.0541  0.7516  0.4527  1
  P  P11  1  0.2556  0.5415  0.9567  1
  P  P12  1  0.4515  0.0529  0.7555  1
  P  P13  1  0.5479  0.9592  0.2570  1
  P  P14  1  0.7532  0.4520  0.0545  1
  P  P15  1  0.9498  0.2537  0.5392  1
  O  O16  1  0.0337  0.8097  0.6030  1
  O  O17  1  0.0498  0.9165  0.2638  1
  O  O18  1  0.0989  0.7333  0.9459  1
  O  O19  1  0.1124  0.3215  0.4782  1
  O  O20  1  0.1887  0.3860  0.9955  1
  O  O21  1  0.2456  0.5938  0.4216  1
  O  O22  1  0.2550  0.0691  0.9088  1
  O  O23  1  0.3339  0.4912  0.1066  1
  O  O24  1  0.3801  0.0092  0.2000  1
  O  O25  1  0.4073  0.5668  0.7582  1
  O  O26  1  0.4397  0.2391  0.5869  1
  O  O27  1  0.4922  0.8890  0.6971  1
  O  O28  1  0.5217  0.1072  0.3254  1
  O  O29  1  0.5647  0.7614  0.4105  1
  O  O30  1  0.5979  0.4198  0.2505  1
  O  O31  1  0.6036  0.0264  0.8178  1
  O  O32  1  0.6924  0.4930  0.8926  1
  O  O33  1  0.7374  0.9416  0.0971  1
  O  O34  1  0.7539  0.4090  0.5704  1
  O  O35  1  0.8147  0.6017  0.0305  1
  O  O36  1  0.8892  0.6891  0.4992  1
  O  O37  1  0.9035  0.2517  0.0744  1
  O  O38  1  0.9466  0.0969  0.7305  1
  O  O39  1  0.9677  0.1933  0.3878  1
]