data_[Sc2Ag4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [8.2875]
_cell_length_b [3.8750]
_cell_length_c [11.5476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScAg2Te3]
_chemical_formula_sum '[Sc2 Ag4 Te6]'
_cell_volume [363.3441]
_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  0.2302  0.7500  0.7048  1.0
  Ag  Ag1  2  0.0552  0.7500  0.4197  1.0
  Ag  Ag2  2  0.3916  0.2500  0.9239  1.0
  Te  Te3  2  0.0524  0.2500  0.8268  1.0
  Te  Te4  2  0.2936  0.2500  0.5260  1.0
  Te  Te5  2  0.4252  0.2500  0.1788  1.0
]