data_[Al8Te2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [15.1202]
_cell_length_b [6.4942]
_cell_length_c [6.0953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Al4TeS7]
_chemical_formula_sum '[Al8 Te2 S14]'
_cell_volume [598.5219]
_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  4  0.1319  0.6584  0.5839  1
  Al  Al1  4  0.2479  0.1827  0.5593  1
  Te  Te2  2  0.0000  0.0092  0.1589  1
  S  S3  4  0.1238  0.3390  0.4584  1
  S  S4  4  0.1240  0.6737  0.9520  1
  S  S5  4  0.2465  0.8447  0.4404  1
  S  S6  2  0.0000  0.8418  0.5078  1
]