data_[Er9Sc3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0503]
_cell_length_b [5.0503]
_cell_length_c [24.8198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3ScNi8]
_chemical_formula_sum '[Er9 Sc3 Ni24]'
_cell_volume [548.2417]
_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  3  0.0000  0.0000  0.3760  1.0
  Er  Er1  3  0.0000  0.0000  0.5020  1.0
  Er  Er2  3  0.0000  0.0000  0.9976  1.0
  Sc  Sc3  3  0.0000  0.0000  0.8739  1.0
  Ni  Ni4  9  0.0000  0.5000  0.9366  1.0
  Ni  Ni5  9  0.0010  0.5005  0.4385  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1877  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6875  1.0
]