data_[Sb4Te4I12F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1137]
_cell_length_b [10.1908]
_cell_length_c [12.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SbTe(IF2)3]
_chemical_formula_sum '[Sb4 Te4 I12 F24]'
_cell_volume [1019.8533]
_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
[
  Sb  Sb0  4  0.3173  0.7247  0.4168  1
  Te  Te1  4  0.3241  0.1815  0.8040  1
  I  I2  4  0.0592  0.1695  0.9036  1
  I  I3  4  0.2027  0.0364  0.6272  1
  I  I4  4  0.2753  0.0733  0.2280  1
  F  F5  4  0.1010  0.6667  0.3444  1
  F  F6  4  0.2249  0.6066  0.9360  1
  F  F7  4  0.2754  0.6674  0.5545  1
  F  F8  4  0.3743  0.7215  0.7823  1
  F  F9  4  0.4090  0.5535  0.4002  1
  F  F10  4  0.4644  0.2167  0.5082  1
]