data_[Er2Hf4Sc2]
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 [Pmma]
_cell_length_a [4.6477]
_cell_length_b [4.5358]
_cell_length_c [9.3490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErHf2Sc]
_chemical_formula_sum '[Er2 Hf4 Sc2]'
_cell_volume [197.0846]
_cell_formula_units_Z [2]
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  2  0.2500  0.0000  0.6381  1.0
  Hf  Hf1  2  0.2500  0.0000  0.1158  1.0
  Hf  Hf2  2  0.2500  0.5000  0.8869  1.0
  Sc  Sc3  2  0.2500  0.5000  0.3553  1.0
]