data_[Li6Mn8F38]
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 [P-1]
_cell_length_a [5.5864]
_cell_length_b [11.1250]
_cell_length_c [12.1317]
_cell_angle_alpha [114.6587]
_cell_angle_beta [92.7140]
_cell_angle_gamma [93.7727]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Mn4F19]
_chemical_formula_sum '[Li6 Mn8 F38]'
_cell_volume [681.3979]
_cell_formula_units_Z [2]
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  2  0.0435  0.2404  0.4596  1
  Li  Li1  2  0.1337  0.5366  0.2246  1
  Li  Li2  2  0.3954  0.8625  0.9183  1
  Mn  Mn3  2  0.0990  0.0142  0.2051  1
  Mn  Mn4  2  0.2171  0.3290  0.9735  1
  Mn  Mn5  2  0.3809  0.5680  0.6212  1
  Mn  Mn6  2  0.4811  0.8676  0.3763  1
  F  F7  2  0.0051  0.1705  0.8824  1
  F  F8  2  0.0337  0.3429  0.0935  1
  F  F9  2  0.0717  0.4035  0.8860  1
  F  F10  2  0.1097  0.9375  0.8816  1
  F  F11  2  0.1147  0.9787  0.6884  1
  F  F12  2  0.1343  0.5005  0.6749  1
  F  F13  2  0.1878  0.6431  0.5465  1
  F  F14  2  0.1953  0.1834  0.3051  1
  F  F15  2  0.2382  0.7391  0.3365  1
  F  F16  2  0.3133  0.2010  0.5524  1
  F  F17  2  0.3245  0.9566  0.5224  1
  F  F18  2  0.3258  0.9647  0.3030  1
  F  F19  2  0.3385  0.0041  0.1000  1
  F  F20  2  0.3563  0.4044  0.4727  1
  F  F21  2  0.3668  0.4863  0.0759  1
  F  F22  2  0.3959  0.2208  0.7676  1
  F  F23  2  0.4002  0.4991  0.3113  1
  F  F24  2  0.4154  0.7226  0.7541  1
  F  F25  2  0.4476  0.2408  0.0068  1
]