data_[Ba4Y2Ag10S12]
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
  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 [14.0767]
_cell_length_b [4.2307]
_cell_length_c [11.2692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2YAg5S6]
_chemical_formula_sum '[Ba4 Y2 Ag10 S12]'
_cell_volume [668.5524]
_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  0.2486  0.5000  0.2964  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  4  0.0187  0.0000  0.2564  1.0
  Ag  Ag3  4  0.1484  0.5000  0.9624  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  S  S5  4  0.0866  0.5000  0.7348  1.0
  S  S6  4  0.1253  0.0000  0.4544  1.0
  S  S7  4  0.1581  0.0000  0.1022  1.0
]