data_[Na18Yb6Si12O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Yb  1.1000  1.7500  1.0840
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.3799]
_cell_length_b [9.3799]
_cell_length_c [13.6736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Na3YbSi2O7]
_chemical_formula_sum '[Na18 Yb6 Si12 O42]'
_cell_volume [1041.8680]
_cell_formula_units_Z [6]
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
[
  Na  Na0  12  0.0089  0.6739  0.0864  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Na  Na2  2  0.3333  0.6667  0.2500  1
  Na  Na3  2  0.3333  0.6667  0.7500  1
  Yb  Yb4  4  0.3333  0.6667  0.0245  1
  Yb  Yb5  2  0.0000  0.0000  0.2500  1
  Si  Si6  12  0.0190  0.6771  0.6412  1
  O  O7  12  0.0608  0.2042  0.1341  1
  O  O8  12  0.1197  0.5158  0.1309  1
  O  O9  12  0.1645  0.7288  0.5606  1
  O  O10  6  0.1154  0.7111  0.7500  1
]