data_K3Mn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   42.94
_cell_angle_beta   42.94
_cell_angle_gamma   42.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Mn2O8
_chemical_formula_sum   'K3 Mn2 O8'
_cell_volume   196.72
_cell_formula_units_Z   1
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
  K  K0  1  0.0  0.0  0.0  1.0
  K  K1  1  0.0  0.0  0.78  1.0
  K  K2  1  0.0  0.0  0.32  1.0
  Mn  Mn3  1  0.0  0.0  0.62  1.0
  Mn  Mn4  1  0.0  0.0  0.48  1.0
  O  O5  1  0.0  0.0  0.99  1.0
  O  O6  1  0.0  0.0  0.12  1.0
  O  O7  1  0.0  0.45  0.18  1.0
  O  O8  1  0.34  0.77  0.18  1.0
  O  O9  1  0.66  0.77  0.18  1.0
  O  O10  1  0.34  0.23  0.93  1.0
  O  O11  1  0.66  0.23  0.93  1.0
  O  O12  1  0.0  0.55  0.93  1.0

data_K3Mn2O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   7.76
_cell_angle_alpha   68.53
_cell_angle_beta   68.53
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Mn2O8
_chemical_formula_sum   'K3 Mn2 O8'
_cell_volume   196.72
_cell_formula_units_Z   1
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
  K  K0  1  0.0  0.0  0.0  1.0
  K  K1  1  0.0  0.22  0.78  1.0
  K  K2  1  0.0  0.68  0.32  1.0
  Mn  Mn3  1  0.0  0.38  0.62  1.0
  Mn  Mn4  1  0.0  0.52  0.48  1.0
  O  O5  1  0.0  0.01  0.99  1.0
  O  O6  1  0.0  0.88  0.12  1.0
  O  O7  1  0.23  0.82  0.29  1.0
  O  O8  1  0.23  0.82  0.61  1.0
  O  O9  1  0.45  0.07  0.47  1.0
  O  O10  1  0.55  0.82  0.63  1.0
  O  O11  1  0.77  0.07  0.49  1.0
  O  O12  1  0.77  0.07  0.82  1.0

K K K Mn Mn O O O O O O O O