data_[Sr8Sc4Al4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3312]
_cell_length_b [19.8344]
_cell_length_c [13.7742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ScAlTe5]
_chemical_formula_sum '[Sr8 Sc4 Al4 Te20]'
_cell_volume [1183.3033]
_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  0.1210  0.6828  1.0
  Sr  Sr1  4  0.0000  0.1253  0.3197  1.0
  Sc  Sc2  4  0.0000  0.2078  0.0267  1.0
  Al  Al3  4  0.0000  0.4342  0.4332  1.0
  Te  Te4  4  0.0000  0.0514  0.0463  1.0
  Te  Te5  4  0.0000  0.2918  0.6691  1.0
  Te  Te6  4  0.0000  0.3073  0.3724  1.0
  Te  Te7  4  0.0000  0.3516  0.0037  1.0
  Te  Te8  4  0.0000  0.4988  0.2701  1.0
]