data_[Er18Tm6Te36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [12.7099]
_cell_length_b [12.7099]
_cell_length_c [15.3692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er3TmTe6]
_chemical_formula_sum '[Er18 Tm6 Te36]'
_cell_volume [2150.1472]
_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
[
  Er  Er0  18  0.0571  0.2749  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  0.0154  0.2085  0.8936  1.0
  Te  Te4  18  0.0338  0.1965  0.3762  1.0
]