data_[Te4F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7653]
_cell_length_b [15.0000]
_cell_length_c [10.8030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Te4F5]
_chemical_formula_sum '[Te4 F5]'
_cell_volume [1048.9635]
_cell_formula_units_Z [1]
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
[
  Te  Te0  1  0.1609  0.5000  0.0560  1
  Te  Te1  1  0.3936  0.5000  0.3122  1
  Te  Te2  1  0.4976  0.5000  0.7067  1
  Te  Te3  1  0.7482  0.5000  0.5576  1
  F  F4  1  0.2488  0.5000  0.5386  1
  F  F5  1  0.3639  0.5000  0.9490  1
  F  F6  1  0.6462  0.5000  0.2593  1
  F  F7  1  0.7555  0.5000  0.8592  1
  F  F8  1  0.9946  0.5000  0.1900  1
]