data_[Ho2Er8Sc14]
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 [C2/m]
_cell_length_a [11.2578]
_cell_length_b [5.5032]
_cell_length_c [11.9333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoEr4Sc7]
_chemical_formula_sum '[Ho2 Er8 Sc14]'
_cell_volume [673.5030]
_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
[
  Ho  Ho0  2  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0968  0.5000  0.2951  1
  Er  Er2  4  0.1276  0.0000  0.7733  1
  Sc  Sc3  4  0.1295  0.0000  0.4826  1
  Sc  Sc4  4  0.1482  0.5000  0.6169  1
  Sc  Sc5  4  0.2073  0.5000  0.9145  1
  Sc  Sc6  2  0.0000  0.5000  0.0000  1
]