data_[In12Ag3Sn3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2388]
_cell_length_b [8.2388]
_cell_length_c [19.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In4AgSnSe8]
_chemical_formula_sum '[In12 Ag3 Sn3 Se24]'
_cell_volume [1173.1546]
_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
[
  In  In0  9  0.0146  0.5073  0.5016  1.0
  In  In1  3  0.0000  0.0000  0.3762  1.0
  Ag  Ag2  3  0.0000  0.0000  0.6251  1.0
  Sn  Sn3  3  0.0000  0.0000  0.9942  1.0
  Se  Se4  9  0.0236  0.5118  0.7537  1.0
  Se  Se5  9  0.1749  0.3498  0.5803  1.0
  Se  Se6  3  0.0000  0.0000  0.2396  1.0
  Se  Se7  3  0.0000  0.0000  0.7579  1.0
]