data_CsPrCdSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49
_cell_length_b   8.49
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   149.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPrCdSe3
_chemical_formula_sum   'Cs2 Pr2 Cd2 Se6'
_cell_volume   419.55
_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  Cs8  1  0.22  0.99  0.89  1.0
  Cs  Cs9  1  0.22  0.01  0.66  1.0
  Pr  Pr10  1  0.0  0.0  0.78  1.0
  Pr  Pr11  1  0.0  0.0  0.0  1.0
  Cd  Cd6  1  0.22  0.4  0.66  1.0
  Cd  Cd7  1  0.22  0.6  0.89  1.0
  Se  Se0  1  0.22  0.04  0.4  1.0
  Se  Se1  1  0.22  0.96  0.15  1.0
  Se  Se2  1  0.22  0.96  0.63  1.0
  Se  Se3  1  0.22  0.82  0.66  1.0
  Se  Se4  1  0.22  0.18  0.89  1.0
  Se  Se5  1  0.22  0.04  0.93  1.0

data_CsPrCdSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   8.49
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPrCdSe3
_chemical_formula_sum   'Cs2 Pr2 Cd2 Se6'
_cell_volume   419.55
_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  0.01  0.23  0.89  1.0
  Cs  Cs1  1  0.99  0.2  0.66  1.0
  Pr  Pr2  1  0.0  0.0  0.0  1.0
  Pr  Pr3  1  0.0  0.0  0.78  1.0
  Cd  Cd4  1  0.4  0.62  0.89  1.0
  Cd  Cd5  1  0.6  0.82  0.66  1.0
  Se  Se6  1  0.04  0.26  0.15  1.0
  Se  Se7  1  0.04  0.26  0.63  1.0
  Se  Se8  1  0.18  0.39  0.66  1.0
  Se  Se9  1  0.82  0.04  0.89  1.0
  Se  Se10  1  0.96  0.17  0.4  1.0
  Se  Se11  1  0.96  0.17  0.93  1.0

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