data_[Ho5Er2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.6602]
_cell_length_b [3.4855]
_cell_length_c [10.6986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho5(ErSc2)2]
_chemical_formula_sum '[Ho5 Er2 Sc4]'
_cell_volume [321.8833]
_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
[
  Ho  Ho0  2  0.1470  0.0000  0.1328  1
  Ho  Ho1  2  0.4521  0.0000  0.6663  1
  Ho  Ho2  1  0.5000  0.0000  0.0000  1
  Er  Er3  2  0.0750  0.0000  0.6362  1
  Sc  Sc4  2  0.2015  0.5000  0.8702  1
  Sc  Sc5  2  0.2467  0.5000  0.4257  1
]