data_[Na2Ta2Cu2S6]
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 [P2_1/m]
_cell_length_a [7.3933]
_cell_length_b [3.5177]
_cell_length_c [9.1675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTaCuS3]
_chemical_formula_sum '[Na2 Ta2 Cu2 S6]'
_cell_volume [224.4424]
_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  2  0.2541  0.2500  0.2972  1
  Ta  Ta1  2  0.3208  0.7500  0.8425  1
  Cu  Cu2  2  0.0808  0.2500  0.6053  1
  S  S3  2  0.0837  0.2500  0.8511  1
  S  S4  2  0.2596  0.7500  0.5578  1
  S  S5  2  0.4263  0.7500  0.1338  1
]