data_[Si4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.8219]
_cell_length_b [14.9034]
_cell_length_c [4.1467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiTe]
_chemical_formula_sum '[Si4 Te4]'
_cell_volume [268.4366]
_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
[
  Si  Si0  2  0.1940  0.0000  0.9440  1.0
  Si  Si1  2  0.4156  0.5000  0.3042  1.0
  Te  Te2  4  0.0545  0.3657  0.0678  1.0
]