data_[In2Ag1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5081]
_cell_length_b [7.7568]
_cell_length_c [19.3124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [106.5569]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In2AgTe3]
_chemical_formula_sum '[In2 Ag1 Te3]'
_cell_volume [647.3213]
_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
[
  In  In0  1  0.3096  0.4689  0.5498  1
  In  In1  1  0.6265  0.0420  0.4083  1
  Ag  Ag2  1  0.9107  0.7079  0.4939  1
  Te  Te3  1  0.1570  0.1014  0.5070  1
  Te  Te4  1  0.3785  0.6403  0.4094  1
  Te  Te5  1  0.8622  0.5696  0.6316  1
]