data_[Li4Mn8F28]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.4586]
_cell_length_b [10.4911]
_cell_length_c [9.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiMn2F7]
_chemical_formula_sum '[Li4 Mn8 F28]'
_cell_volume [540.5498]
_cell_formula_units_Z [4]
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  4  0.1678  0.2283  0.8590  1.0
  Mn  Mn1  4  0.2295  0.4755  0.4156  1.0
  Mn  Mn2  4  0.2882  0.0500  0.5705  1.0
  F  F3  4  0.0180  0.4731  0.7332  1.0
  F  F4  4  0.0423  0.1036  0.4070  1.0
  F  F5  4  0.1054  0.3746  0.9883  1.0
  F  F6  4  0.2340  0.8141  0.1767  1.0
  F  F7  4  0.3343  0.3353  0.3354  1.0
  F  F8  4  0.3789  0.0923  0.9667  1.0
  F  F9  4  0.4606  0.4417  0.5895  1.0
]