data_[Er9Sc15Sb24]
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-3m]
_cell_length_a [8.4769]
_cell_length_b [8.4769]
_cell_length_c [20.7507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er3Sc5Sb8]
_chemical_formula_sum '[Er9 Sc15 Sb24]'
_cell_volume [1291.3326]
_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  9  0.0000  0.5000  0.5000  1
  Sc  Sc1  9  0.0000  0.5000  0.0000  1
  Sc  Sc2  3  -0.0000  -0.0000  0.5000  1
  Sc  Sc3  3  0.0000  0.0000  0.0000  1
  Sb  Sb4  18  0.0056  0.5028  0.2528  1
  Sb  Sb5  6  0.0000  0.0000  0.2543  1
]