# generated using pymatgen
data_Li4MnOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92398341
_cell_length_b   5.92398341
_cell_length_c   12.90041091
_cell_angle_alpha   89.94186283
_cell_angle_beta   89.94186283
_cell_angle_gamma   120.42214519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4MnOF5
_chemical_formula_sum   'Li12 Mn3 O3 F15'
_cell_volume   390.38917432
_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  1  0.33241400  0.66028200  0.78843800  1
  Li  Li1  1  0.33327000  0.65472600  0.48486400  1
  Li  Li2  1  0.00021800  0.66808900  0.62546400  1
  Li  Li3  1  0.00169200  0.65256000  0.32697800  1
  Li  Li4  1  0.66808900  0.00021800  0.62546400  1
  Li  Li5  1  0.00538900  0.00538900  0.79195900  1
  Li  Li6  1  0.65256000  0.00169200  0.32697800  1
  Li  Li7  1  0.01098300  0.01098300  0.48613200  1
  Li  Li8  1  0.99978500  0.99978500  0.17054800  1
  Li  Li9  1  0.66028200  0.33241400  0.78843800  1
  Li  Li10  1  0.65472600  0.33327000  0.48486400  1
  Li  Li11  1  0.35147200  0.35147200  0.32609900  1
  Mn  Mn12  1  0.66784300  0.00152100  0.98053000  1
  Mn  Mn13  1  0.33671700  0.33671700  0.98069100  1
  Mn  Mn14  1  0.00152100  0.66784300  0.98053000  1
  O  O15  1  0.32812100  0.66143700  0.97087700  1
  O  O16  1  0.66143700  0.32812100  0.97087700  1
  O  O17  1  0.99509500  0.99509500  0.96228900  1
  F  F18  1  0.33268400  0.71431400  0.64903700  1
  F  F19  1  0.99988700  0.65822400  0.82745100  1
  F  F20  1  0.00066600  0.67296200  0.48055200  1
  F  F21  1  0.33404100  0.66861800  0.32707400  1
  F  F22  1  0.00065400  0.69560400  0.12368400  1
  F  F23  1  0.65822400  0.99988700  0.82745100  1
  F  F24  1  0.67296200  0.00066600  0.48055200  1
  F  F25  1  0.69560400  0.00065400  0.12368400  1
  F  F26  1  0.95117600  0.95117600  0.65241500  1
  F  F27  1  0.99924400  0.99924400  0.31292900  1
  F  F28  1  0.71431400  0.33268400  0.64903700  1
  F  F29  1  0.34079600  0.34079600  0.82657300  1
  F  F30  1  0.33018700  0.33018700  0.47753400  1
  F  F31  1  0.66861800  0.33404100  0.32707400  1
  F  F32  1  0.30644900  0.30644900  0.12386100  1
