data_[Sr4Th6Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.1834]
_cell_length_b [16.1229]
_cell_length_c [5.3879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr2Th3Te8]
_chemical_formula_sum '[Sr4 Th6 Te16]'
_cell_volume [971.4878]
_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
[
  Sr  Sr0  4  0.0000  0.2627  0.5000  1
  Th  Th1  4  0.2200  0.5000  0.0000  1
  Th  Th2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.2361  0.1159  0.5000  1
  Te  Te4  4  0.0000  0.1106  0.0000  1
  Te  Te5  4  0.0000  0.3793  0.0000  1
]