data_[Cu3Ag9Sb9Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9781]
_cell_length_b [7.9781]
_cell_length_c [19.9008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CuAg3Sb3Se8]
_chemical_formula_sum '[Cu3 Ag9 Sb9 Se24]'
_cell_volume [1096.9693]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  9  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  9  0.0000  0.5000  0.5000  1.0
  Se  Se3  18  0.0309  0.5154  0.2447  1.0
  Se  Se4  6  0.0000  0.0000  0.2519  1.0
]