data_[Na2Y1Ta1Se4]
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
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7715]
_cell_length_b [3.7715]
_cell_length_c [14.8296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na2YTaSe4]
_chemical_formula_sum '[Na2 Y1 Ta1 Se4]'
_cell_volume [182.6782]
_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  0.0000  0.0000  0.2456  1
  Y  Y1  1  0.0000  0.0000  0.5000  1
  Ta  Ta2  1  0.0000  0.0000  0.0000  1
  Se  Se3  2  0.3333  0.6667  0.3783  1
  Se  Se4  2  0.6667  0.3333  0.1066  1
]