data_[Al2Fe2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0269]
_cell_length_b [3.5858]
_cell_length_c [6.9540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlFeTe2]
_chemical_formula_sum '[Al2 Fe2 Te4]'
_cell_volume [196.5299]
_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  0.4773  0.0000  0.4098  1
  Fe  Fe1  2  0.2527  0.5000  0.3403  1
  Te  Te2  2  0.0209  0.0000  0.1191  1
  Te  Te3  2  0.2491  0.0000  0.6308  1
]