data_layer-youhua
_audit_creation_date              2022-10-31
_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                    3.8804
_cell_length_b                    3.8804
_cell_length_c                    27.3139
_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
Sn1    Sn   -0.00000   0.00000   0.42314   0.00000  Uiso   1.00
Se1    Se    0.66666   0.33334   0.36510   0.00000  Uiso   1.00
Se2    Se    0.33333   0.66667   0.48121   0.00000  Uiso   1.00
Ga1    Ga    0.66667   0.33333   0.63502   0.00000  Uiso   1.00
P1     P     0.33334   0.66666   0.61857   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Sn1    Se1     2.745   .     S
Sn1    Se1     2.745   1_445 S
Sn1    Se1     2.745   1_455 S
Sn1    Se2     2.745   1_545 S
Sn1    Se2     2.745   1_445 S
Se1    Sn1     2.745   1_665 S
Se1    Sn1     2.745   1_655 S
Se2    Sn1     2.745   1_565 S
Se2    Sn1     2.745   1_665 S
Ga1    P1      2.285   1_655 S
Ga1    P1      2.285   1_545 S
P1     Ga1     2.285   1_455 S
P1     Ga1     2.285   1_565 S
