data_[Ta2Cu2Ag4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6787]
_cell_length_b [6.9319]
_cell_length_c [6.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TaCu(AgS2)2]
_chemical_formula_sum '[Ta2 Cu2 Ag4 S8]'
_cell_volume [354.4716]
_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
[
  Ta  Ta0  2  0.0000  0.1662  0.9916  1.0
  Cu  Cu1  2  0.0000  0.8369  0.5027  1.0
  Ag  Ag2  4  0.2473  0.3189  0.5165  1.0
  S  S3  4  0.2477  0.6728  0.3960  1.0
  S  S4  2  0.0000  0.1335  0.3339  1.0
  S  S5  2  0.0000  0.8652  0.8466  1.0
]