data_[Si4Te12H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3919]
_cell_length_b [13.4319]
_cell_length_c [7.5232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SiTe3H]
_chemical_formula_sum '[Si4 Te12 H4]'
_cell_volume [746.7122]
_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  4  0.0542  0.2137  0.9058  1
  Te  Te1  4  0.0703  0.5415  0.6670  1
  Te  Te2  4  0.2028  0.6601  0.0563  1
  Te  Te3  4  0.2665  0.2117  0.1799  1
  H  H4  4  0.3122  0.7451  0.9325  1
]