data_[Ba4Y2Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [14.7984]
_cell_length_b [3.9801]
_cell_length_c [7.3578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Y(CuS2)2]
_chemical_formula_sum '[Ba4 Y2 Cu4 S8]'
_cell_volume [406.9368]
_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
[
  Ba  Ba0  4  0.1350  0.0000  0.5658  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1797  0.5000  0.9923  1
  S  S3  4  0.0229  0.5000  0.7566  1
  S  S4  4  0.2001  0.0000  0.1817  1
]