data_[Y18Tm6Te36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.7875]
_cell_length_b [12.7875]
_cell_length_c [15.4784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y3TmTe6]
_chemical_formula_sum '[Y18 Tm6 Te36]'
_cell_volume [2191.9239]
_cell_formula_units_Z [6]
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  18  0.0571  0.7821  0.7002  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  3  0.0000  0.0000  0.5000  1.0
  Te  Te3  18  0.0155  0.8082  0.8938  1.0
  Te  Te4  18  0.0340  0.8377  0.3774  1.0
]