data_[Sc2Tl2Ag2Te6]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1988]
_cell_length_b [4.1416]
_cell_length_c [10.3576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScTlAgTe3]
_chemical_formula_sum '[Sc2 Tl2 Ag2 Te6]'
_cell_volume [370.7248]
_cell_formula_units_Z [2]
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  2  0.3231  0.7500  0.8437  1.0
  Tl  Tl1  2  0.2030  0.2500  0.2499  1.0
  Ag  Ag2  2  0.0763  0.2500  0.6004  1.0
  Te  Te3  2  0.1159  0.2500  0.8805  1.0
  Te  Te4  2  0.2565  0.7500  0.5452  1.0
  Te  Te5  2  0.4471  0.7500  0.1472  1.0
]