data_[Sc2Be2Tl2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6265]
_cell_length_b [4.1084]
_cell_length_c [9.9454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScBeTlTe3]
_chemical_formula_sum '[Sc2 Be2 Tl2 Te6]'
_cell_volume [368.9121]
_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  0.3296  0.7500  0.8603  1.0
  Be  Be1  2  0.0789  0.2500  0.5984  1.0
  Tl  Tl2  2  0.2077  0.2500  0.2241  1.0
  Te  Te3  2  0.1105  0.2500  0.8554  1.0
  Te  Te4  2  0.1952  0.7500  0.5329  1.0
  Te  Te5  2  0.4670  0.7500  0.1700  1.0
]