data_[Na4Ta2Sb4S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8734]
_cell_length_b [11.5866]
_cell_length_c [7.0671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ta(SbS3)2]
_chemical_formula_sum '[Na4 Ta2 Sb4 S12]'
_cell_volume [530.8252]
_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  0.1711  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.0000  0.3320  0.5000  1.0
  S  S3  8  0.2254  0.1557  0.7122  1.0
  S  S4  4  0.2252  0.0000  0.2884  1.0
]