# generated using pymatgen
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73988600
_cell_length_b   9.31454500
_cell_length_c   19.71680000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnF3
_chemical_formula_sum   'Li16 Mn16 F48'
_cell_volume   1054.14740327
_cell_formula_units_Z   16
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  0.33132900  0.66677300  0.03113000  1
  Li  Li1  1  0.83132900  0.83322700  0.03113000  1
  Li  Li2  1  0.54470200  0.66482600  0.22688400  1
  Li  Li3  1  0.04470200  0.83517400  0.22688400  1
  Li  Li4  1  0.54470200  0.16482600  0.27311600  1
  Li  Li5  1  0.04470200  0.33517400  0.27311600  1
  Li  Li6  1  0.33132900  0.16677300  0.46887000  1
  Li  Li7  1  0.83132900  0.33322700  0.46887000  1
  Li  Li8  1  0.16867100  0.66677300  0.53113000  1
  Li  Li9  1  0.66867100  0.83322700  0.53113000  1
  Li  Li10  1  0.95529800  0.66482600  0.72688400  1
  Li  Li11  1  0.45529800  0.83517400  0.72688400  1
  Li  Li12  1  0.95529800  0.16482600  0.77311600  1
  Li  Li13  1  0.45529800  0.33517400  0.77311600  1
  Li  Li14  1  0.16867100  0.16677300  0.96887000  1
  Li  Li15  1  0.66867100  0.33322700  0.96887000  1
  Mn  Mn16  1  0.33786700  0.96261700  0.12050400  1
  Mn  Mn17  1  0.83786700  0.53738300  0.12050400  1
  Mn  Mn18  1  0.34251800  0.34457700  0.12177400  1
  Mn  Mn19  1  0.84251800  0.15542300  0.12177400  1
  Mn  Mn20  1  0.84251800  0.65542300  0.37822600  1
  Mn  Mn21  1  0.34251800  0.84457700  0.37822600  1
  Mn  Mn22  1  0.83786700  0.03738300  0.37949600  1
  Mn  Mn23  1  0.33786700  0.46261700  0.37949600  1
  Mn  Mn24  1  0.66213300  0.53738300  0.62050400  1
  Mn  Mn25  1  0.16213300  0.96261700  0.62050400  1
  Mn  Mn26  1  0.65748200  0.15542300  0.62177400  1
  Mn  Mn27  1  0.15748200  0.34457700  0.62177400  1
  Mn  Mn28  1  0.65748200  0.65542300  0.87822600  1
  Mn  Mn29  1  0.15748200  0.84457700  0.87822600  1
  Mn  Mn30  1  0.66213300  0.03738300  0.87949600  1
  Mn  Mn31  1  0.16213300  0.46261700  0.87949600  1
  F  F32  1  0.65533800  0.66587700  0.05156800  1
  F  F33  1  0.15533800  0.83412300  0.05156800  1
  F  F34  1  0.18105400  0.16472700  0.06795700  1
  F  F35  1  0.68105400  0.33527300  0.06795700  1
  F  F36  1  0.16453400  0.51377100  0.07234300  1
  F  F37  1  0.66453400  0.98622900  0.07234300  1
  F  F38  1  0.50999200  0.15909000  0.17502400  1
  F  F39  1  0.00999200  0.34091000  0.17502400  1
  F  F40  1  0.03245500  0.01468400  0.18040900  1
  F  F41  1  0.53245500  0.48531600  0.18040900  1
  F  F42  1  0.35296400  0.80594900  0.19408400  1
  F  F43  1  0.85296400  0.69405100  0.19408400  1
  F  F44  1  0.85296400  0.19405100  0.30591600  1
  F  F45  1  0.35296400  0.30594900  0.30591600  1
  F  F46  1  0.03245500  0.51468400  0.31959100  1
  F  F47  1  0.53245500  0.98531600  0.31959100  1
  F  F48  1  0.50999200  0.65909000  0.32497600  1
  F  F49  1  0.00999200  0.84091000  0.32497600  1
  F  F50  1  0.16453400  0.01377100  0.42765700  1
  F  F51  1  0.66453400  0.48622900  0.42765700  1
  F  F52  1  0.18105400  0.66472700  0.43204300  1
  F  F53  1  0.68105400  0.83527300  0.43204300  1
  F  F54  1  0.65533800  0.16587700  0.44843200  1
  F  F55  1  0.15533800  0.33412300  0.44843200  1
  F  F56  1  0.84466200  0.66587700  0.55156800  1
  F  F57  1  0.34466200  0.83412300  0.55156800  1
  F  F58  1  0.31894600  0.16472700  0.56795700  1
  F  F59  1  0.81894600  0.33527300  0.56795700  1
  F  F60  1  0.33546600  0.51377100  0.57234300  1
  F  F61  1  0.83546600  0.98622900  0.57234300  1
  F  F62  1  0.99000800  0.15909000  0.67502400  1
  F  F63  1  0.49000800  0.34091000  0.67502400  1
  F  F64  1  0.46754500  0.01468400  0.68040900  1
  F  F65  1  0.96754500  0.48531600  0.68040900  1
  F  F66  1  0.64703600  0.69405100  0.69408400  1
  F  F67  1  0.14703600  0.80594900  0.69408400  1
  F  F68  1  0.64703600  0.19405100  0.80591600  1
  F  F69  1  0.14703600  0.30594900  0.80591600  1
  F  F70  1  0.46754500  0.51468400  0.81959100  1
  F  F71  1  0.96754500  0.98531600  0.81959100  1
  F  F72  1  0.99000800  0.65909000  0.82497600  1
  F  F73  1  0.49000800  0.84091000  0.82497600  1
  F  F74  1  0.33546600  0.01377100  0.92765700  1
  F  F75  1  0.83546600  0.48622900  0.92765700  1
  F  F76  1  0.31894600  0.66472700  0.93204300  1
  F  F77  1  0.81894600  0.83527300  0.93204300  1
  F  F78  1  0.84466200  0.16587700  0.94843200  1
  F  F79  1  0.34466200  0.33412300  0.94843200  1
