data_[Ca2Ag2Bi4S8]
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 [I-4m2]
_cell_length_a [5.8063]
_cell_length_b [5.8063]
_cell_length_c [11.3923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CaAg(BiS2)2]
_chemical_formula_sum '[Ca2 Ag2 Bi4 S8]'
_cell_volume [384.0695]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.2500  1
  Ag  Ag1  2  0.0000  0.0000  0.0000  1
  Bi  Bi2  2  0.0000  0.0000  0.5000  1
  Bi  Bi3  2  0.0000  0.5000  0.7500  1
  S  S4  4  0.0000  0.0000  0.2528  1
  S  S5  4  0.0000  0.5000  0.5026  1
]