data_CsSmMnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   11.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSmMnSe3
_chemical_formula_sum   'Cs2 Sm2 Mn2 Se6'
_cell_volume   393.03
_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
  Cs  Cs0  1  0.15  0.11  0.49  1.0
  Cs  Cs1  1  0.15  0.89  0.83  1.0
  Sm  Sm2  1  0.0  0.0  0.66  1.0
  Sm  Sm3  1  0.0  0.0  0.0  1.0
  Mn  Mn4  1  0.15  0.64  0.49  1.0
  Mn  Mn5  1  0.15  0.36  0.83  1.0
  Se  Se6  1  0.15  0.91  0.62  1.0
  Se  Se7  1  0.15  0.09  0.7  1.0
  Se  Se8  1  0.15  0.09  0.96  1.0
  Se  Se9  1  0.15  0.25  0.49  1.0
  Se  Se10  1  0.15  0.75  0.83  1.0
  Se  Se11  1  0.15  0.91  0.35  1.0

data_CsSmMnSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   8.37
_cell_length_c   11.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSmMnSe3
_chemical_formula_sum   'Cs2 Sm2 Mn2 Se6'
_cell_volume   393.03
_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
  Cs  Cs0  1  0.11  0.25  0.83  1.0
  Cs  Cs1  1  0.89  0.04  0.49  1.0
  Sm  Sm2  1  0.0  0.0  0.0  1.0
  Sm  Sm3  1  0.0  0.0  0.66  1.0
  Mn  Mn4  1  0.36  0.51  0.49  1.0
  Mn  Mn5  1  0.64  0.78  0.83  1.0
  Se  Se6  1  0.09  0.23  0.35  1.0
  Se  Se7  1  0.09  0.23  0.62  1.0
  Se  Se8  1  0.25  0.39  0.83  1.0
  Se  Se9  1  0.75  0.9  0.49  1.0
  Se  Se10  1  0.91  0.06  0.7  1.0
  Se  Se11  1  0.91  0.06  0.96  1.0

Cs Cs Sm Sm Mn Mn Se Se Se Se Se Se
Cs Cs Sm Sm Mn Mn Se Se Se Se Se Se 0 9 o o o 0 11 o - o 1 10 o o o 2 7 o o o 2 5 o o o 2 6 o - o 3 8 o o - 3 5 o o - 4 11 o o o 4 6 o o o 4 9 o o o 5 10 o o o 5 7 o o o 5 8 o o o 6 7 o + o 