data_[Er5Sc6]
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 [Pm]
_cell_length_a [8.5838]
_cell_length_b [15.0000]
_cell_length_c [11.6737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Er5Sc6]
_chemical_formula_sum '[Er5 Sc6]'
_cell_volume [1501.0616]
_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
[
  Er  Er0  1  0.2920  0.5000  0.6185  1
  Er  Er1  1  0.4646  0.5000  0.1590  1
  Er  Er2  1  0.7467  0.5000  0.9704  1
  Er  Er3  1  0.8372  0.5000  0.2499  1
  Er  Er4  1  0.9265  0.5000  0.5258  1
  Sc  Sc5  1  0.0213  0.5000  0.7972  1
  Sc  Sc6  1  0.1092  0.5000  0.0679  1
  Sc  Sc7  1  0.1994  0.5000  0.3426  1
  Sc  Sc8  1  0.3784  0.5000  0.8892  1
  Sc  Sc9  1  0.5613  0.5000  0.4346  1
  Sc  Sc10  1  0.6537  0.5000  0.7069  1
]