data_CsMn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   9.7
_cell_angle_alpha   104.37
_cell_angle_beta   104.37
_cell_angle_gamma   112.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMn2N3
_chemical_formula_sum   'Cs4 Mn8 N12'
_cell_volume   519.03
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.18  0.13  0.5  1.0
  Cs  Cs1  1  0.36  0.87  0.17  1.0
  Cs  Cs2  1  0.18  0.82  0.5  1.0
  Cs  Cs3  1  0.36  0.18  0.17  1.0
  Mn  Mn4  1  0.5  0.99  0.34  1.0
  Mn  Mn5  1  0.87  0.99  0.65  1.0
  Mn  Mn6  1  0.05  0.01  0.32  1.0
  Mn  Mn7  1  0.68  0.01  0.01  1.0
  Mn  Mn8  1  0.59  0.39  0.01  1.0
  Mn  Mn9  1  0.78  0.39  0.99  1.0
  Mn  Mn10  1  0.96  0.61  0.66  1.0
  Mn  Mn11  1  0.77  0.61  0.68  1.0
  N  N12  1  0.52  0.48  0.26  1.0
  N  N13  1  0.85  0.48  0.74  1.0
  N  N14  1  0.03  0.52  0.41  1.0
  N  N15  1  0.7  0.52  0.93  1.0
  N  N16  1  0.02  0.46  0.71  1.0
  N  N17  1  0.34  0.46  0.29  1.0
  N  N18  1  0.52  0.54  0.96  1.0
  N  N19  1  0.2  0.54  0.37  1.0
  N  N20  1  0.79  0.93  0.5  1.0
  N  N21  1  0.58  0.93  0.49  1.0
  N  N22  1  0.76  0.07  0.16  1.0
  N  N23  1  0.97  0.07  0.17  1.0

data_CsMn2N3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   9.7
_cell_angle_alpha   104.37
_cell_angle_beta   104.37
_cell_angle_gamma   112.98
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsMn2N3
_chemical_formula_sum   'Cs4 Mn8 N12'
_cell_volume   519.03
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cs  Cs0  2  0.09  0.18  0.83  1.0
  Cs  Cs1  2  0.09  0.87  0.83  1.0
  Mn  Mn2  2  0.22  0.99  0.01  1.0
  Mn  Mn3  2  0.31  0.39  0.68  1.0
  Mn  Mn4  2  0.4  0.01  0.68  1.0
  Mn  Mn5  2  0.49  0.61  0.34  1.0
  N  N6  2  0.07  0.46  0.96  1.0
  N  N7  2  0.24  0.48  0.93  1.0
  N  N8  2  0.25  0.54  0.63  1.0
  N  N9  2  0.3  0.93  0.16  1.0
  N  N10  2  0.42  0.52  0.59  1.0
  N  N11  2  0.48  0.07  0.83  1.0

Cs Cs Cs Cs Mn Mn Mn Mn Mn Mn Mn Mn N N N N N N N N N N N N