data_[Y6Tm18Te36]
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 [12.7193]
_cell_length_b [12.7193]
_cell_length_c [15.3695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y(TmTe2)3]
_chemical_formula_sum '[Y6 Tm18 Te36]'
_cell_volume [2153.3509]
_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  3  0.0000  0.0000  0.0000  1
  Y  Y1  3  0.0000  0.0000  0.5000  1
  Tm  Tm2  18  0.0568  0.2747  0.7001  1
  Te  Te3  18  0.0157  0.2110  0.8931  1
  Te  Te4  18  0.0336  0.1971  0.3740  1
]