# Si_TDS.cif -- in P1.1 -- non-magnetic

data_Si_TDS_189
_audit_creation_date               2022-08-04
_audit_creation_method             "Bilbao Crystallographic Server"
_symmetry_Int_Tables_number        1
#_symmetry_space_group_name_H-M    "P11'"
_cell_length_a                     6.43381
_cell_length_b                     6.43381 
_cell_length_c                     20.0000
_cell_angle_alpha                  90.0000
_cell_angle_beta                   90.0000
_cell_angle_gamma                  120.0000

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   x,y,z

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si1 Si 0.33333 0.66667 0.50000 1.0000
Si2 Si 0.66666 0.33333 0.50000 1.0000
Si3 Si 0.29982 0.00000 0.50000 1.0000 
Si4 Si 0.00000 0.29982 0.50000 1.0000
Si5 Si 0.70018 0.70018 0.50000 1.0000 
Si6 Si 0.00000 0.00000 0.43202 1.0000 
Si7 Si 0.00000 0.00000 0.56798 1.0000 