data_[Y8Te12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9529]
_cell_length_b [4.8691]
_cell_length_c [10.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Te3F]
_chemical_formula_sum '[Y8 Te12 F4]'
_cell_volume [758.0896]
_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
[
  Y  Y0  4  0.0980  0.5000  0.4492  1
  Y  Y1  4  0.1477  0.0000  0.8429  1
  Te  Te2  4  0.0631  0.0000  0.2599  1
  Te  Te3  4  0.1408  0.5000  0.0044  1
  Te  Te4  4  0.2180  0.0000  0.6168  1
  F  F5  4  0.0577  0.5000  0.6263  1
]