# generated using pymatgen
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25609089
_cell_length_b   5.25609089
_cell_length_c   5.36999313
_cell_angle_alpha   60.63328939
_cell_angle_beta   60.63328939
_cell_angle_gamma   59.92693888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnF3
_chemical_formula_sum   'Mn2 F6'
_cell_volume   105.83543653
_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  0.00000000  0.50000000  -0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.00000000  0.50000000  1.0
  F  F2  1  0.67638094  0.32361906  0.25000000  1.0
  F  F3  1  0.32361906  0.67638094  0.75000000  1.0
  F  F4  1  0.82341565  0.75076793  0.24735783  1.0
  F  F5  1  0.24923207  0.17658435  0.25264217  1.0
  F  F6  1  0.17658435  0.24923207  0.75264217  1.0
  F  F7  1  0.75076793  0.82341565  0.74735783  1.0