data_BaMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   9.67
_cell_angle_alpha   132.51
_cell_angle_beta   132.51
_cell_angle_gamma   25.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn4O8
_chemical_formula_sum   'Ba1 Mn4 O8'
_cell_volume   151.52
_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  0.41  0.0  0.28  1.0
  Mn  Mn2  1  0.64  0.0  0.69  1.0
  Mn  Mn3  1  0.81  0.0  0.37  1.0
  Mn  Mn4  1  0.24  0.0  0.6  1.0
  O  O5  1  0.79  0.0  0.61  1.0
  O  O6  1  0.25  0.0  0.36  1.0
  O  O7  1  0.37  0.0  0.57  1.0
  O  O8  1  0.68  0.0  0.4  1.0
  O  O9  1  0.13  0.0  0.68  1.0
  O  O10  1  0.92  0.0  0.29  1.0
  O  O11  1  0.31  0.0  0.94  1.0
  O  O12  1  0.74  0.0  0.03  1.0

data_BaMn4O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   7.06
_cell_length_c   7.15
_cell_angle_alpha   85.82
_cell_angle_beta   77.22
_cell_angle_gamma   77.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn4O8
_chemical_formula_sum   'Ba1 Mn4 O8'
_cell_volume   151.52
_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  0.12  0.28  1.0
  Mn  Mn2  1  0.0  0.45  0.37  1.0
  Mn  Mn3  1  0.0  0.63  0.6  1.0
  Mn  Mn4  1  0.0  0.96  0.69  1.0
  O  O5  1  0.0  0.18  0.61  1.0
  O  O6  1  0.0  0.28  0.4  1.0
  O  O7  1  0.0  0.37  0.94  1.0
  O  O8  1  0.0  0.45  0.68  1.0
  O  O9  1  0.0  0.63  0.29  1.0
  O  O10  1  0.0  0.71  0.03  1.0
  O  O11  1  0.0  0.8  0.57  1.0
  O  O12  1  0.0  0.9  0.36  1.0

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