data_[Er36Sc3Sb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7108]
_cell_length_b [14.7108]
_cell_length_c [8.3924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er12ScSb6]
_chemical_formula_sum '[Er36 Sc3 Sb18]'
_cell_volume [1572.8519]
_cell_formula_units_Z [3]
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  0.0025  0.8678  0.6692  1
  Er  Er1  18  0.0576  0.4827  0.6701  1
  Sc  Sc2  3  0.0000  0.0000  0.0000  1
  Sb  Sb3  18  0.0193  0.7617  0.3394  1
]