data_[Ag4Sb2Se4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6957]
_cell_length_b [7.1293]
_cell_length_c [7.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag2SbSe2I]
_chemical_formula_sum '[Ag4 Sb2 Se4 I2]'
_cell_volume [338.7768]
_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
[
  Ag  Ag0  2  0.0662  0.2500  0.4576  1
  Ag  Ag1  2  0.4481  0.2500  0.7167  1
  Sb  Sb2  2  0.1519  0.7500  0.0965  1
  Se  Se3  4  0.1153  0.0135  0.7828  1
  I  I4  2  0.4592  0.2500  0.3174  1
]