data_[Li15Mn3P6O24F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [9.9941]
_cell_length_b [9.9941]
_cell_length_c [6.5672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Li5MnP2(O4F)2]
_chemical_formula_sum '[Li15 Mn3 P6 O24 F6]'
_cell_volume [568.0653]
_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  3  0.0009  0.5004  0.5018  1
  Li  Li1  3  0.1487  0.3463  0.2736  1
  Li  Li2  3  0.3501  0.2017  0.7350  1
  Li  Li3  1  0.0000  0.0000  0.4901  1
  Li  Li4  1  0.0000  0.0000  0.9839  1
  Li  Li5  1  0.3333  0.6667  0.0656  1
  Li  Li6  1  0.3333  0.6667  0.4491  1
  Li  Li7  1  0.6667  0.3333  0.5602  1
  Li  Li8  1  0.6667  0.3333  0.9448  1
  Mn  Mn9  3  0.0003  0.4999  0.0038  1
  P  P10  3  0.1777  0.3684  0.7496  1
  P  P11  3  0.3684  0.1917  0.2602  1
  O  O12  3  0.0561  0.6501  0.7721  1
  O  O13  3  0.0668  0.1932  0.7578  1
  O  O14  3  0.1583  0.4527  0.9410  1
  O  O15  3  0.1633  0.4432  0.5547  1
  O  O16  3  0.1938  0.1294  0.2559  1
  O  O17  3  0.4041  0.0558  0.2353  1
  O  O18  3  0.4461  0.2814  0.4542  1
  O  O19  3  0.4518  0.2950  0.0681  1
  F  F20  3  0.1540  0.6407  0.2410  1
  F  F21  3  0.5134  0.1550  0.7697  1
]