data_[Be4Ag4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.9217]
_cell_length_b [5.1100]
_cell_length_c [17.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Be2Ag2S3]
_chemical_formula_sum '[Be4 Ag4 S6]'
_cell_volume [1069.8339]
_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
[
  Be  Be0  4  0.1734  0.9468  0.0022  1
  Ag  Ag1  4  0.0843  0.5169  0.9381  1
  S  S2  4  0.2359  0.2115  0.9271  1
  S  S3  2  0.0000  0.8926  0.0000  1
]