data_[Cu4Ag4Sb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8124]
_cell_length_b [11.7574]
_cell_length_c [11.6144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuAgSbI5]
_chemical_formula_sum '[Cu4 Ag4 Sb4 I20]'
_cell_volume [1295.0957]
_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
[
  Cu  Cu0  4  0.0000  0.0656  0.7500  1
  Ag  Ag1  4  0.2500  0.2500  0.5000  1
  Sb  Sb2  4  0.0000  0.3690  0.7500  1
  I  I3  8  0.0332  0.1814  0.9440  1
  I  I4  8  0.2093  0.0961  0.3037  1
  I  I5  4  0.0000  0.3894  0.2500  1
]