data_[Al1Cu3Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3210]
_cell_length_b [8.3824]
_cell_length_c [18.2051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlCu3Te4]
_chemical_formula_sum '[Al1 Cu3 Te4]'
_cell_volume [811.9929]
_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  0.3934  0.5000  0.5138  1
  Cu  Cu1  2  0.0180  0.2470  0.4645  1
  Cu  Cu2  1  0.8986  0.5000  0.5177  1
  Te  Te3  2  0.6521  0.2574  0.5648  1
  Te  Te4  1  0.1590  0.5000  0.3888  1
  Te  Te5  1  0.1982  0.0000  0.5211  1
]