data_[Rb1Ag1As1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4311]
_cell_length_b [7.5343]
_cell_length_c [7.8949]
_cell_angle_alpha [102.7658]
_cell_angle_beta [93.5019]
_cell_angle_gamma [109.7370]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbAgAsI6]
_chemical_formula_sum '[Rb1 Ag1 As1 I6]'
_cell_volume [401.3104]
_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
[
  Rb  Rb0  1  0.9273  0.1116  0.9620  1.0
  Ag  Ag1  1  0.6213  0.2705  0.5540  1.0
  As  As2  1  0.3332  0.6575  0.4734  1.0
  I  I3  1  0.0362  0.4348  0.6495  1.0
  I  I4  1  0.0693  0.6563  0.2219  1.0
  I  I5  1  0.3610  0.0121  0.7400  1.0
  I  I6  1  0.4039  0.3339  0.2596  1.0
  I  I7  1  0.5870  0.6015  0.7759  1.0
  I  I8  1  0.6610  0.9219  0.3638  1.0
]