data_BaMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn4O8
_chemical_formula_sum   'Ba1 Mn4 O8'
_cell_volume   214.57
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.26  0.89  1.0
  Mn  Mn2  1  0.82  0.63  0.89  1.0
  Mn  Mn3  1  0.0  0.26  0.88  1.0
  Mn  Mn4  1  0.82  0.63  0.88  1.0
  O  O5  1  0.02  0.76  0.55  1.0
  O  O6  1  0.61  0.0  0.55  1.0
  O  O7  1  0.19  0.13  0.55  1.0
  O  O8  1  0.81  0.13  0.22  1.0
  O  O9  1  0.98  0.76  0.22  1.0
  O  O10  1  0.03  0.0  0.22  1.0
  O  O11  1  0.0  0.26  0.0  1.0
  O  O12  1  0.82  0.63  0.0  1.0

data_BaMn4O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn4O8
_chemical_formula_sum   'Ba1 Mn4 O8'
_cell_volume   214.57
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.26  0.88  1.0
  Mn  Mn2  1  0.0  0.26  0.89  1.0
  Mn  Mn3  1  0.82  0.63  0.88  1.0
  Mn  Mn4  1  0.82  0.63  0.89  1.0
  O  O5  1  0.0  0.26  0.0  1.0
  O  O6  1  0.02  0.76  0.55  1.0
  O  O7  1  0.03  0.0  0.22  1.0
  O  O8  1  0.19  0.13  0.55  1.0
  O  O9  1  0.61  0.0  0.55  1.0
  O  O10  1  0.81  0.13  0.22  1.0
  O  O11  1  0.82  0.63  0.0  1.0
  O  O12  1  0.98  0.76  0.22  1.0

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