data_[Ca8Ag4Bi4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.0487]
_cell_length_b [11.5289]
_cell_length_c [8.0938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Ca2AgBiS4]
_chemical_formula_sum '[Ca8 Ag4 Bi4 S16]'
_cell_volume [751.0472]
_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
[
  Ca  Ca0  8  0.2500  0.2500  0.1815  1.0
  Ag  Ag1  4  0.0000  0.0000  0.4675  1.0
  Bi  Bi2  4  0.0000  0.0000  0.9498  1.0
  S  S3  8  0.0000  0.2454  0.9325  1.0
  S  S4  8  0.2381  0.0000  0.1761  1.0
]