data_[Cs1Y1Ag1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5800]
_cell_length_b [7.7105]
_cell_length_c [8.3113]
_cell_angle_alpha [93.3121]
_cell_angle_beta [98.6685]
_cell_angle_gamma [110.1354]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsYAgI6]
_chemical_formula_sum '[Cs1 Y1 Ag1 I6]'
_cell_volume [447.7027]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.9219  0.0421  0.0127  1.0
  Y  Y1  1  0.3359  0.6800  0.5217  1.0
  Ag  Ag2  1  0.7212  0.3747  0.4561  1.0
  I  I3  1  0.0514  0.3448  0.6455  1.0
  I  I4  1  0.3520  0.9569  0.7859  1.0
  I  I5  1  0.4111  0.4246  0.2535  1.0
  I  I6  1  0.5779  0.9810  0.3373  1.0
  I  I7  1  0.6410  0.5737  0.7291  1.0
  I  I8  1  0.9879  0.6225  0.2581  1.0
]