data_BaMn3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42
_cell_length_b   10.42
_cell_length_c   5.69
_cell_angle_alpha   97.89
_cell_angle_beta   97.89
_cell_angle_gamma   22.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn3O6
_chemical_formula_sum   'Ba2 Mn6 O12'
_cell_volume   235.62
_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
  Ba  Ba0  1  0.41  0.0  0.6  1.0
  Ba  Ba1  1  0.24  0.0  0.03  1.0
  Mn  Mn2  1  0.68  0.0  0.4  1.0
  Mn  Mn3  1  0.93  0.0  0.98  1.0
  Mn  Mn4  1  0.55  0.0  0.8  1.0
  Mn  Mn5  1  0.09  0.0  0.83  1.0
  Mn  Mn6  1  0.71  0.0  0.65  1.0
  Mn  Mn7  1  0.96  0.0  0.23  1.0
  O  O8  1  0.6  0.0  0.81  1.0
  O  O9  1  0.0  0.0  0.0  1.0
  O  O10  1  0.92  0.0  0.4  1.0
  O  O11  1  0.86  0.0  0.36  1.0
  O  O12  1  0.47  0.0  0.23  1.0
  O  O13  1  0.52  0.0  0.03  1.0
  O  O14  1  0.17  0.0  0.86  1.0
  O  O15  1  0.47  0.0  0.77  1.0
  O  O16  1  0.12  0.0  0.6  1.0
  O  O17  1  0.18  0.0  0.4  1.0
  O  O18  1  0.79  0.0  0.27  1.0
  O  O19  1  0.73  0.0  0.23  1.0

data_BaMn3O6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   5.69
_cell_length_c   10.42
_cell_angle_alpha   97.89
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn3O6
_chemical_formula_sum   'Ba2 Mn6 O12'
_cell_volume   235.62
_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
  Ba  Ba0  1  0.0  0.03  0.24  1.0
  Ba  Ba1  1  0.0  0.6  0.41  1.0
  Mn  Mn2  1  0.0  0.23  0.96  1.0
  Mn  Mn3  1  0.0  0.4  0.68  1.0
  Mn  Mn4  1  0.0  0.65  0.71  1.0
  Mn  Mn5  1  0.0  0.8  0.55  1.0
  Mn  Mn6  1  0.0  0.83  0.09  1.0
  Mn  Mn7  1  0.0  0.98  0.93  1.0
  O  O8  1  0.0  0.0  0.0  1.0
  O  O9  1  0.0  0.03  0.52  1.0
  O  O10  1  0.0  0.23  0.73  1.0
  O  O11  1  0.0  0.23  0.47  1.0
  O  O12  1  0.0  0.27  0.79  1.0
  O  O13  1  0.0  0.36  0.86  1.0
  O  O14  1  0.0  0.4  0.18  1.0
  O  O15  1  0.0  0.4  0.92  1.0
  O  O16  1  0.0  0.6  0.12  1.0
  O  O17  1  0.0  0.77  0.47  1.0
  O  O18  1  0.0  0.81  0.6  1.0
  O  O19  1  0.0  0.86  0.17  1.0

Ba Ba Mn Mn Mn Mn Mn Mn O O O O O O O O O O O O