data_[Sc4Tl4Fe4Te12]
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
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1409]
_cell_length_b [15.7718]
_cell_length_c [10.8783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ScTlFeTe3]
_chemical_formula_sum '[Sc4 Tl4 Fe4 Te12]'
_cell_volume [710.4557]
_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  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.2420  0.7500  1
  Fe  Fe2  4  0.0000  0.4686  0.2500  1
  Te  Te3  8  0.0000  0.3730  0.0560  1
  Te  Te4  4  0.0000  0.0723  0.2500  1
]