data_[Sr8Ta4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Cmc2_1]
_cell_length_a [3.7812]
_cell_length_b [17.3802]
_cell_length_c [12.0626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TaCuS5]
_chemical_formula_sum '[Sr8 Ta4 Cu4 S20]'
_cell_volume [792.7211]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.1114  0.6848  1.0
  Sr  Sr1  4  0.0000  0.1199  0.3186  1.0
  Ta  Ta2  4  0.0000  0.1979  0.0162  1.0
  Cu  Cu3  4  0.0000  0.4223  0.4385  1.0
  S  S4  4  0.0000  0.0630  0.0467  1.0
  S  S5  4  0.0000  0.2878  0.6558  1.0
  S  S6  4  0.0000  0.2975  0.3734  1.0
  S  S7  4  0.0000  0.3429  0.0071  1.0
  S  S8  4  0.0000  0.4963  0.2828  1.0
]