data_[Eu1Er2Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Eu  1.2000  1.8500  1.1985
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6869]
_cell_length_b [5.6869]
_cell_length_c [3.7896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [EuEr2Sc]
_chemical_formula_sum '[Eu1 Er2 Sc1]'
_cell_volume [122.5572]
_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
[
  Eu  Eu0  1  0.0000  0.0000  0.5000  1
  Er  Er1  2  0.0000  0.5000  0.0000  1
  Sc  Sc2  1  0.5000  0.5000  0.5000  1
]