data_[Na4Ta4Cu2S12]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2628]
_cell_length_b [10.7029]
_cell_length_c [6.9732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ta2CuS6]
_chemical_formula_sum '[Na4 Ta4 Cu2 S12]'
_cell_volume [451.1983]
_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  0.1739  0.0000  1
  Ta  Ta1  4  0.0000  0.3500  0.5000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2252  0.1707  0.6956  1
  S  S4  4  0.2053  0.5000  0.7377  1
]