data_[Ho12Er4Zr2Sc6]
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
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9744]
_cell_length_b [10.2906]
_cell_length_c [11.3027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Er2ZrSc3]
_chemical_formula_sum '[Ho12 Er4 Zr2 Sc6]'
_cell_volume [684.2185]
_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  8  0.2488  0.1641  0.2535  1.0
  Ho  Ho1  4  0.2438  0.0000  0.7475  1.0
  Er  Er2  4  0.0000  0.3332  0.0000  1.0
  Zr  Zr3  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc4  4  0.0000  0.1668  0.5000  1.0
  Sc  Sc5  2  0.0000  0.5000  0.5000  1.0
]