data_[Ba2Na1Tb1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2/m]
_cell_length_a [7.6719]
_cell_length_b [4.4567]
_cell_length_c [7.7367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2NaTbSe4]
_chemical_formula_sum '[Ba2 Na1 Tb1 Se4]'
_cell_volume [250.4594]
_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
[
  Ba  Ba0  1  0.5000  0.0000  0.5000  1.0
  Ba  Ba1  1  0.5000  0.5000  0.0000  1.0
  Na  Na2  1  0.0000  0.5000  0.5000  1.0
  Tb  Tb3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2165  0.5000  0.2295  1.0
  Se  Se5  2  0.2228  0.0000  0.7581  1.0
]