data_[Sr8Al4In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3428]
_cell_length_b [20.9066]
_cell_length_c [13.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlInTe5]
_chemical_formula_sum '[Sr8 Al4 In4 Te20]'
_cell_volume [1222.2927]
_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  0.1109  0.6744  1.0
  Sr  Sr1  4  0.0000  0.1165  0.2962  1.0
  Al  Al2  4  0.0000  0.4335  0.4474  1.0
  In  In3  4  0.0000  0.2285  0.0251  1.0
  Te  Te4  4  0.0000  0.0437  0.0579  1.0
  Te  Te5  4  0.0000  0.2782  0.6772  1.0
  Te  Te6  4  0.0000  0.3146  0.3789  1.0
  Te  Te7  4  0.0000  0.3622  0.9888  1.0
  Te  Te8  4  0.0000  0.4939  0.2781  1.0
]