data_[Na2Tb1Al1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9955]
_cell_length_b [6.5875]
_cell_length_c [5.1261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2TbAlF8]
_chemical_formula_sum '[Na2 Tb1 Al1 F8]'
_cell_volume [168.6611]
_cell_formula_units_Z [1]
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  0.5000  0.2288  0.5000  1.0
  Tb  Tb1  1  0.0000  0.5000  0.0000  1.0
  Al  Al2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1764  0.2132  0.8277  1.0
  F  F4  2  0.2530  0.0000  0.2500  1.0
  F  F5  2  0.3063  0.5000  0.2980  1.0
]