data_[Li3Mn2P2O8F3]
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 [P1]
_cell_length_a [6.1550]
_cell_length_b [6.6124]
_cell_length_c [6.6201]
_cell_angle_alpha [116.6098]
_cell_angle_beta [113.6428]
_cell_angle_gamma [90.3845]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3Mn2P2O8F3]
_chemical_formula_sum '[Li3 Mn2 P2 O8 F3]'
_cell_volume [214.8876]
_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  0.2184  0.3520  0.9700  1.0
  Li  Li1  1  0.6864  0.1929  0.9285  1.0
  Li  Li2  1  0.7872  0.7316  0.0415  1.0
  Mn  Mn3  1  0.1989  0.1924  0.3820  1.0
  Mn  Mn4  1  0.8173  0.8020  0.6173  1.0
  P  P5  1  0.2460  0.7359  0.4763  1.0
  P  P6  1  0.7534  0.2759  0.5337  1.0
  O  O7  1  0.1238  0.8463  0.3099  1.0
  O  O8  1  0.1386  0.7754  0.6635  1.0
  O  O9  1  0.2150  0.4715  0.3042  1.0
  O  O10  1  0.4840  0.1411  0.3375  1.0
  O  O11  1  0.5201  0.8600  0.6500  1.0
  O  O12  1  0.7706  0.5336  0.7004  1.0
  O  O13  1  0.8728  0.1747  0.7110  1.0
  O  O14  1  0.8813  0.2416  0.3631  1.0
  F  F15  1  0.3795  0.3031  0.7661  1.0
  F  F16  1  0.6759  0.6512  0.2535  1.0
  F  F17  1  0.9559  0.9939  0.9915  1.0
]