data_[Sr4Tl8Ga4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  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 [4.8329]
_cell_length_b [20.4939]
_cell_length_c [17.1385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrTl2GaI5]
_chemical_formula_sum '[Sr4 Tl8 Ga4 I20]'
_cell_volume [1697.4963]
_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
[
  Sr  Sr0  4  0.0000  0.2410  0.0300  1.0
  Tl  Tl1  4  0.0000  0.0753  0.6574  1.0
  Tl  Tl2  4  0.0000  0.1322  0.2675  1.0
  Ga  Ga3  4  0.0000  0.4474  0.4488  1.0
  I  I4  4  0.0000  0.0826  0.0680  1.0
  I  I5  4  0.0000  0.2508  0.6660  1.0
  I  I6  4  0.0000  0.2861  0.4020  1.0
  I  I7  4  0.0000  0.3994  0.0122  1.0
  I  I8  4  0.0000  0.4872  0.7720  1.0
]