data_[Er3Cd9Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9244]
_cell_length_b [4.9244]
_cell_length_c [24.0703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ErCd3Ni8]
_chemical_formula_sum '[Er3 Cd9 Ni24]'
_cell_volume [505.5024]
_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  0.8758  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0027  1.0
  Cd  Cd2  3  0.0000  0.0000  0.3740  1.0
  Cd  Cd3  3  0.0000  0.0000  0.4966  1.0
  Ni  Ni4  9  0.1668  0.8332  0.2712  1.0
  Ni  Ni5  9  0.1672  0.3344  0.7708  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1875  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6876  1.0
]