# generated using pymatgen
data_MnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41030193
_cell_length_b   6.41030193
_cell_length_c   6.41030193
_cell_angle_alpha   126.72489570
_cell_angle_beta   126.72489570
_cell_angle_gamma   78.69995331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnO4
_chemical_formula_sum   'Mn2 O8'
_cell_volume   163.78009681
_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  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn1  1  0.25000000  0.75000000  0.50000000  1.0
  O  O2  1  0.15513800  0.42598500  0.27084700  1.0
  O  O3  1  0.17598500  0.40513800  0.77084700  1.0
  O  O4  1  0.63429100  0.40513800  0.22915300  1.0
  O  O5  1  0.15513800  0.88429100  0.72915300  1.0
  O  O6  1  0.59486200  0.82401500  0.22915300  1.0
  O  O7  1  0.57401500  0.84486200  0.72915300  1.0
  O  O8  1  0.11570900  0.84486200  0.27084700  1.0
  O  O9  1  0.59486200  0.36570900  0.77084700  1.0