# Na4K2Si34 clathrate type II with all the cages filled
# The real crystal is Na8Si46, here for visualization effect one Na is replaced by K
# Moreover, symmetrized structure is given: actually Na in site 8b occupy 1/6 of 48f sites: 3/8 3/8 3/8-0.0216(7)
data_Na24Si136
_journal_name_full               Chem.Mater.
_journal_page_first              1491
_journal_volume                  23
_journal_year                    2011
loop_
_publ_author_name
'Stefanoski, S.'
'Beekman, M.'
'Wong-Ng, W.'
'Zavalij, P.'
'Nolas, G. S.'
_chemical_formula_sum            Na24Si136
_symmetry_space_group_name_H-M   Fd-3m
_symmetry_int_tables_number      227
_cell_length_a                   14.7121(1)
_cell_length_b                   14.7121(1)
_cell_length_c                   14.7121(1)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_measurement_temperature    200
loop_
_symmetry_equiv_pos_as_xyz
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z+3/4,y+3/4,-x
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loop_
_atom_site_label
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na  16c 0 0 0
K    8b 0.375 0.375 0.375
Si1  8a 0.125 0.125 0.125
Si2 32e 0.217951(19) 0.217951(19) 0.217951(19)
Si3 96g 0.067382(13) 0.067382(13) 0.371284(19)
