data_[Mg2Sc2Tl2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  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 [9.2613]
_cell_length_b [4.3709]
_cell_length_c [10.4424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgScTlTe3]
_chemical_formula_sum '[Mg2 Sc2 Tl2 Te6]'
_cell_volume [402.5064]
_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
[
  Mg  Mg0  2  0.0821  0.2500  0.6119  1.0
  Sc  Sc1  2  0.3315  0.7500  0.8668  1.0
  Tl  Tl2  2  0.2083  0.2500  0.2274  1.0
  Te  Te3  2  0.1154  0.2500  0.8829  1.0
  Te  Te4  2  0.2326  0.7500  0.5455  1.0
  Te  Te5  2  0.4616  0.7500  0.1561  1.0
]