data_CsPrF6
_audit_creation_date              2024-08-04
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    7.7600
_cell_length_b                    7.7600
_cell_length_c                    8.0788
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
F1     F     0.56359   0.70940   0.00987   0.00000  Uiso   1.00
F2     F     0.43641   0.29060   0.99013   0.00000  Uiso   1.00
F3     F     0.29060   0.85419   0.00987   0.00000  Uiso   1.00
F4     F     0.70940   0.14581   0.99013   0.00000  Uiso   1.00
F5     F     0.14581   0.43641   0.00987   0.00000  Uiso   1.00
F6     F     0.85419   0.56359   0.99013   0.00000  Uiso   1.00
F7     F     0.23026   0.04273   0.34320   0.00000  Uiso   1.00
F8     F     0.10308   0.62393   0.32346   0.00000  Uiso   1.00
F9     F     0.95727   0.18752   0.34320   0.00000  Uiso   1.00
F10    F     0.37607   0.47914   0.32346   0.00000  Uiso   1.00
F11    F     0.81248   0.76974   0.34320   0.00000  Uiso   1.00
F12    F     0.52086   0.89692   0.32346   0.00000  Uiso   1.00
F13    F     0.89692   0.37607   0.67654   0.00000  Uiso   1.00
F14    F     0.76974   0.95727   0.65680   0.00000  Uiso   1.00
F15    F     0.62393   0.52086   0.67654   0.00000  Uiso   1.00
F16    F     0.04273   0.81248   0.65680   0.00000  Uiso   1.00
F17    F     0.47914   0.10308   0.67654   0.00000  Uiso   1.00
F18    F     0.18752   0.23026   0.65680   0.00000  Uiso   1.00
Cs1    Cs    0.66667   0.33333   0.33333   0.00000  Uiso   1.00
Cs2    Cs    0.33333   0.66667   0.66667   0.00000  Uiso   1.00
Cs3    Cs    0.00000   0.00000   0.00000   0.00000  Uiso   1.00
Pr1    Pr    0.00000   0.00000   0.50000   0.00000  Uiso   1.00
Pr2    Pr    0.66667   0.33333   0.83333   0.00000  Uiso   1.00
Pr3    Pr    0.33333   0.66667   0.16667   0.00000  Uiso   1.00
