data_[Ta4Cu2Ag4S12]
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 [C2/m]
_cell_length_a [6.2457]
_cell_length_b [10.8120]
_cell_length_c [7.7866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Cu(AgS3)2]
_chemical_formula_sum '[Ta4 Cu2 Ag4 S12]'
_cell_volume [488.3693]
_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  4  0.0000  0.1419  0.5000  1
  Cu  Cu1  2  0.0000  0.5000  0.5000  1
  Ag  Ag2  4  0.0000  0.3291  0.0000  1
  S  S3  8  0.0805  0.3288  0.3250  1
  S  S4  4  0.0297  0.0000  0.2758  1
]