data_[Er1Hf2Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2951]
_cell_length_b [3.2951]
_cell_length_c [23.7334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Er(HfSc3)2]
_chemical_formula_sum '[Er1 Hf2 Sc6]'
_cell_volume [223.1606]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  2  0.3333  0.6667  0.6678  1.0
  Sc  Sc2  2  0.0000  0.0000  0.2265  1.0
  Sc  Sc3  2  0.0000  0.0000  0.4356  1.0
  Sc  Sc4  2  0.3333  0.6667  0.1162  1.0
]