data_[Y8Te2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0171]
_cell_length_b [4.1630]
_cell_length_c [8.6046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4TeSe5]
_chemical_formula_sum '[Y8 Te2 Se10]'
_cell_volume [618.2028]
_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  4  0.0061  0.0000  0.2741  1
  Y  Y1  4  0.1842  0.5000  0.1249  1
  Te  Te2  2  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.1598  0.0000  0.8726  1
  Se  Se4  4  0.1647  0.0000  0.3315  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]