data_[Y16Te8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7830]
_cell_length_b [4.1266]
_cell_length_c [11.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Te]
_chemical_formula_sum '[Y16 Te8]'
_cell_volume [801.7719]
_cell_formula_units_Z [8]
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  0.0813  0.0000  0.4241  1.0
  Y  Y1  4  0.0896  0.5000  0.6771  1.0
  Y  Y2  4  0.1969  0.0000  0.1239  1.0
  Y  Y3  4  0.2494  0.5000  0.3804  1.0
  Te  Te4  4  0.0813  0.5000  0.2145  1.0
  Te  Te5  4  0.1663  0.0000  0.8615  1.0
]