data_[Y12Sb2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5405]
_cell_length_b [13.1018]
_cell_length_c [7.6755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6SbTe5]
_chemical_formula_sum '[Y12 Sb2 Te10]'
_cell_volume [716.0724]
_cell_formula_units_Z [2]
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  8  0.2432  0.8374  0.2438  1.0
  Y  Y1  4  0.2413  0.0000  0.7540  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.1697  0.5000  1.0
  Te  Te4  4  0.0000  0.3343  0.0000  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
]