data_[Al2Ag2Te4]
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 [Pmn2_1]
_cell_length_a [4.4840]
_cell_length_b [9.0049]
_cell_length_c [6.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AlAgTe2]
_chemical_formula_sum '[Al2 Ag2 Te4]'
_cell_volume [256.2901]
_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
[
  Al  Al0  2  0.0000  0.6285  0.8830  1.0
  Ag  Ag1  2  0.0000  0.1357  0.8387  1.0
  Te  Te2  2  0.0000  0.3820  0.1272  1.0
  Te  Te3  2  0.0000  0.8742  0.0844  1.0
]