data_[Sr4Y4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [17.3744]
_cell_length_b [3.9772]
_cell_length_c [8.3779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrYAgS3]
_chemical_formula_sum '[Sr4 Y4 Ag4 S12]'
_cell_volume [563.2299]
_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  0.1329  0.0000  0.5730  1
  Y  Y1  4  0.1648  0.0000  0.0878  1
  Ag  Ag2  4  0.0237  0.5000  0.2127  1
  S  S3  4  0.1723  0.5000  0.8619  1
  S  S4  4  0.1813  0.5000  0.3215  1
  S  S5  2  0.0000  0.0000  0.0000  1
  S  S6  2  0.0000  0.5000  0.5000  1
]