# generated using pymatgen
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82871744
_cell_length_b   5.32873677
_cell_length_c   5.36299606
_cell_angle_alpha   90.00972140
_cell_angle_beta   90.00001821
_cell_angle_gamma   90.00000264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnF3
_chemical_formula_sum   'Mn2 F6'
_cell_volume   109.41706358
_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
  Mn  Mn0  1  0.50000009  0.49999998  -0.00000029  1.0
  Mn  Mn1  1  0.50000063  -0.00000006  0.50000014  1.0
  F  F2  1  -0.00000034  0.50000004  0.00000009  1.0
  F  F3  1  0.49999951  0.28905624  0.29111143  1.0
  F  F4  1  0.49999994  0.20938643  0.78968910  1.0
  F  F5  1  -0.00000003  -0.00000015  0.49999994  1.0
  F  F6  1  0.49999992  0.79061379  0.21031110  1.0
  F  F7  1  0.50000027  0.71094372  0.70888849  1.0