data_[Na6Ta2Ni4S12]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2079]
_cell_length_b [10.7598]
_cell_length_c [6.8729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ta(NiS3)2]
_chemical_formula_sum '[Na6 Ta2 Ni4 S12]'
_cell_volume [437.7260]
_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  4  0.0000  0.1670  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.3333  0.0000  1
  S  S4  8  0.2356  0.1682  0.2021  1
  S  S5  4  0.2312  0.5000  0.2024  1
]