data_[Sr4Si4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0203]
_cell_length_b [8.6767]
_cell_length_c [12.4287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrSiTe3]
_chemical_formula_sum '[Sr4 Si4 Te12]'
_cell_volume [680.2406]
_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  4  0.2598  0.1087  0.7457  1.0
  Si  Si1  4  0.3752  0.5974  0.9326  1.0
  Te  Te2  4  0.0795  0.0188  0.2012  1.0
  Te  Te3  4  0.2460  0.7119  0.0586  1.0
  Te  Te4  4  0.4080  0.1976  0.0774  1.0
]