data_[Er14Sc6]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.4936]
_cell_length_b [10.4936]
_cell_length_c [6.1943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Er7Sc3]
_chemical_formula_sum '[Er14 Sc6]'
_cell_volume [590.7065]
_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  6  0.0578  0.5289  0.7855  1
  Er  Er1  6  0.1204  0.2407  0.6185  1
  Er  Er2  2  0.3333  0.6667  0.4867  1
  Sc  Sc3  6  0.2123  0.4247  0.1311  1
]