data_Mn5Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39
_cell_length_b   9.39
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Br3
_chemical_formula_sum   'Mn10 Br6'
_cell_volume   376.92
_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  Mn6  1  0.69  0.71  0.47  1.0
  Mn  Mn7  1  0.0  0.42  0.0  1.0
  Mn  Mn8  1  0.0  0.42  0.47  1.0
  Mn  Mn9  1  0.69  0.71  0.0  1.0
  Mn  Mn10  1  0.07  0.81  0.71  1.0
  Mn  Mn11  1  0.24  0.32  0.24  1.0
  Mn  Mn12  1  0.76  0.32  0.71  1.0
  Mn  Mn13  1  0.86  0.0  0.71  1.0
  Mn  Mn14  1  0.53  0.0  0.24  1.0
  Mn  Mn15  1  0.93  0.81  0.24  1.0
  Br  Br0  1  0.37  0.82  0.71  1.0
  Br  Br1  1  0.93  0.31  0.24  1.0
  Br  Br2  1  0.07  0.31  0.71  1.0
  Br  Br3  1  0.25  0.0  0.71  1.0
  Br  Br4  1  0.13  0.0  0.24  1.0
  Br  Br5  1  0.63  0.82  0.24  1.0

data_Mn5Br3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   9.39
_cell_length_c   9.39
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Br3
_chemical_formula_sum   'Mn10 Br6'
_cell_volume   376.92
_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  0.0  -0.0  0.42  1.0
  Mn  Mn1  1  0.0  0.69  0.71  1.0
  Mn  Mn2  1  0.24  0.24  0.32  1.0
  Mn  Mn3  1  0.24  0.53  0.0  1.0
  Mn  Mn4  1  0.24  0.93  0.81  1.0
  Mn  Mn5  1  0.47  -0.0  0.42  1.0
  Mn  Mn6  1  0.47  0.69  0.71  1.0
  Mn  Mn7  1  0.71  0.07  0.81  1.0
  Mn  Mn8  1  0.71  0.76  0.32  1.0
  Mn  Mn9  1  0.71  0.86  0.0  1.0
  Br  Br10  1  0.24  0.13  0.0  1.0
  Br  Br11  1  0.24  0.63  0.82  1.0
  Br  Br12  1  0.24  0.93  0.31  1.0
  Br  Br13  1  0.71  0.07  0.31  1.0
  Br  Br14  1  0.71  0.25  0.0  1.0
  Br  Br15  1  0.71  0.37  0.82  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Br Br Br Br Br Br