data_[Er2Hf2Zr2Sc6]
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
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3830]
_cell_length_b [4.6148]
_cell_length_c [9.2239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErHfZrSc3]
_chemical_formula_sum '[Er2 Hf2 Zr2 Sc6]'
_cell_volume [298.3958]
_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  0.1753  0.7500  0.2942  1.0
  Hf  Hf1  2  0.4985  0.2500  0.8786  1.0
  Zr  Zr2  2  0.4984  0.2500  0.3700  1.0
  Sc  Sc3  2  0.1855  0.2500  0.0416  1.0
  Sc  Sc4  2  0.1873  0.2500  0.5518  1.0
  Sc  Sc5  2  0.1887  0.7500  0.7971  1.0
]