data_[Na2Ta1V1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7568]
_cell_length_b [3.7568]
_cell_length_c [16.1345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na2TaVTe4]
_chemical_formula_sum '[Na2 Ta1 V1 Te4]'
_cell_volume [197.2018]
_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  0.2536  1
  Ta  Ta1  1  0.0000  0.0000  0.0000  1
  V  V2  1  0.0000  0.0000  0.5000  1
  Te  Te3  2  0.3333  0.6667  0.3974  1
  Te  Te4  2  0.6667  0.3333  0.1106  1
]