data_[Mg4Al8Te4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [C2/c]
_cell_length_a [12.4043]
_cell_length_b [10.8242]
_cell_length_c [6.7211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgAl2TeS6]
_chemical_formula_sum '[Mg4 Al8 Te4 S24]'
_cell_volume [877.3260]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0000  0.0984  0.2500  1.0
  Al  Al1  8  0.1971  0.4070  0.2530  1.0
  Te  Te2  4  0.0000  0.2667  0.7500  1.0
  S  S3  8  0.1082  0.0937  0.6354  1.0
  S  S4  8  0.1359  0.2245  0.1122  1.0
  S  S5  8  0.1392  0.4318  0.5450  1.0
]