data_[Rb8Mg4Ga4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6537]
_cell_length_b [20.6798]
_cell_length_c [16.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2MgGaI5]
_chemical_formula_sum '[Rb8 Mg4 Ga4 I20]'
_cell_volume [1616.4203]
_cell_formula_units_Z [4]
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  4  0.0000  0.0827  0.6463  1.0
  Rb  Rb1  4  0.0000  0.1407  0.2978  1.0
  Mg  Mg2  4  0.0000  0.2244  0.0309  1.0
  Ga  Ga3  4  0.0000  0.4512  0.4511  1.0
  I  I4  4  0.0000  0.0894  0.0725  1.0
  I  I5  4  0.0000  0.2579  0.6518  1.0
  I  I6  4  0.0000  0.3032  0.4147  1.0
  I  I7  4  0.0000  0.3579  0.9862  1.0
  I  I8  4  0.0000  0.4978  0.7725  1.0
]