data_[Sc1Tl2Ag1Te4]
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/m]
_cell_length_a [7.6865]
_cell_length_b [4.2598]
_cell_length_c [7.9371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ScTl2AgTe4]
_chemical_formula_sum '[Sc1 Tl2 Ag1 Te4]'
_cell_volume [246.7445]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag3  1  0.0000  0.5000  0.5000  1.0
  Te  Te4  2  0.2359  0.0000  0.7036  1.0
  Te  Te5  2  0.2761  0.5000  0.2850  1.0
]