data_[Ho6Zr2Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.6155]
_cell_length_b [6.8360]
_cell_length_c [5.9190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ho3ZrSc4]
_chemical_formula_sum '[Ho6 Zr2 Sc8]'
_cell_volume [429.5275]
_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  4  0.2470  0.3696  0.0180  1.0
  Ho  Ho1  2  0.0000  0.3730  0.3636  1.0
  Zr  Zr2  2  0.0000  0.6347  0.8522  1.0
  Sc  Sc3  4  0.2435  0.8780  0.0172  1.0
  Sc  Sc4  2  0.0000  0.1130  0.8521  1.0
  Sc  Sc5  2  0.0000  0.8729  0.3463  1.0
]