data_[Al2Sn1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1100]
_cell_length_b [12.3104]
_cell_length_c [19.7482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Al2SnTe4]
_chemical_formula_sum '[Al2 Sn1 Te4]'
_cell_volume [999.1701]
_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  2  0.0000  0.3650  0.5295  1
  Sn  Sn1  1  0.5000  0.0000  0.4863  1
  Te  Te2  2  0.5000  0.2824  0.4693  1
  Te  Te3  1  0.0000  0.0000  0.3878  1
  Te  Te4  1  0.0000  0.5000  0.6283  1
]