data_[Na2Y4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6785]
_cell_length_b [3.9565]
_cell_length_c [6.9403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaY2F8]
_chemical_formula_sum '[Na2 Y4 F16]'
_cell_volume [366.5408]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Y  Y1  4  0.2383  0.5000  0.7419  1
  F  F2  4  0.0814  0.5000  0.7488  1
  F  F3  4  0.0978  0.0000  0.1352  1
  F  F4  4  0.1987  0.0000  0.5396  1
  F  F5  4  0.2350  0.5000  0.0950  1
]