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 [4.9969]
_cell_length_b [4.9969]
_cell_length_c [24.5559]
_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 [530.9847]
_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  0.0024  1
  Er  Er1  3  0.0000  0.0000  0.4980  1
  Er  Er2  3  0.0000  0.0000  0.6240  1
  Sc  Sc3  3  0.0000  0.0000  0.1261  1
  Ni  Ni4  9  0.1667  0.3333  0.3968  1
  Ni  Ni5  9  0.1672  0.3343  0.8948  1
  Ni  Ni6  3  0.0000  0.0000  0.3125  1
  Ni  Ni7  3  0.0000  0.0000  0.8123  1
]