data_[Na2Li1Ta1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5028]
_cell_length_b [3.6293]
_cell_length_c [6.8545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2LiTaS4]
_chemical_formula_sum '[Na2 Li1 Ta1 S4]'
_cell_volume [155.3604]
_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  1  0.0000  0.5000  0.5000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  Li  Li2  1  0.5000  0.5000  0.0000  1.0
  Ta  Ta3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2241  0.5000  0.2094  1.0
  S  S5  2  0.2409  0.0000  0.7875  1.0
]