data_[Sr8Th4Te16]
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 [Cmcm]
_cell_length_a [4.4180]
_cell_length_b [15.6206]
_cell_length_c [15.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr2ThTe4]
_chemical_formula_sum '[Sr8 Th4 Te16]'
_cell_volume [1070.8381]
_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
[
  Sr  Sr0  8  0.0000  0.1298  0.0697  1
  Th  Th1  4  0.0000  0.3759  0.2500  1
  Te  Te2  8  0.0000  0.2156  0.6284  1
  Te  Te3  4  0.0000  0.0178  0.2500  1
  Te  Te4  4  0.0000  0.5000  0.0000  1
]