data_[Na2Tb10Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1024]
_cell_length_b [12.2907]
_cell_length_c [7.1320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTb5Se6]
_chemical_formula_sum '[Na2 Tb10 Se12]'
_cell_volume [587.2187]
_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  0.0000  0.0000  1
  Tb  Tb1  4  0.0000  0.1635  0.5000  1
  Tb  Tb2  4  0.0000  0.3347  0.0000  1
  Tb  Tb3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2500  0.1668  0.2513  1
  Se  Se5  4  0.2491  0.0000  0.7542  1
]