data_[Y3Er7Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.9384]
_cell_length_b [6.9384]
_cell_length_c [8.5088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Y3Er7Sc]
_chemical_formula_sum '[Y3 Er7 Sc1]'
_cell_volume [354.7526]
_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
[
  Y  Y0  3  0.1659  0.3317  0.2192  1
  Er  Er1  3  0.0025  0.5013  0.5528  1
  Er  Er2  3  0.3298  0.1649  0.8782  1
  Er  Er3  1  0.3333  0.6667  0.8789  1
  Sc  Sc4  1  0.0000  0.0000  0.5554  1
]