data_[Sc4Tl8Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9921]
_cell_length_b [20.5867]
_cell_length_c [14.3888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ScTl2GaTe5]
_chemical_formula_sum '[Sc4 Tl8 Ga4 Te20]'
_cell_volume [1182.5270]
_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
[
  Sc  Sc0  4  0.0000  0.1936  0.0270  1.0
  Tl  Tl1  4  0.0000  0.1240  0.6777  1.0
  Tl  Tl2  4  0.0000  0.1302  0.3244  1.0
  Ga  Ga3  4  0.0000  0.4359  0.4266  1.0
  Te  Te4  4  0.0000  0.0467  0.0460  1.0
  Te  Te5  4  0.0000  0.2892  0.6712  1.0
  Te  Te6  4  0.0000  0.3108  0.3768  1.0
  Te  Te7  4  0.0000  0.3351  0.0016  1.0
  Te  Te8  4  0.0000  0.4959  0.7726  1.0
]