data_[Al1Ag1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0950]
_cell_length_b [18.4993]
_cell_length_c [7.3369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlAgTe3]
_chemical_formula_sum '[Al1 Ag1 Te3]'
_cell_volume [555.8059]
_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
[
  Al  Al0  1  0.0000  0.5000  0.0782  1
  Ag  Ag1  1  0.5000  0.5000  0.4404  1
  Te  Te2  2  0.0000  0.4054  0.3570  1
  Te  Te3  1  0.5000  0.5000  0.8618  1
]