data_[Ho3Mg8Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0028]
_cell_length_b [6.0028]
_cell_length_c [9.6886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ho3Mg8Sc]
_chemical_formula_sum '[Ho3 Mg8 Sc1]'
_cell_volume [302.3408]
_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  1  0.0000  0.0000  0.0689  1.0
  Ho  Ho1  1  0.6667  0.3333  0.5600  1.0
  Ho  Ho2  1  0.6667  0.3333  0.9341  1.0
  Mg  Mg3  3  0.1617  0.3233  0.7478  1.0
  Mg  Mg4  3  0.5044  0.0089  0.2519  1.0
  Mg  Mg5  1  0.3333  0.6667  0.4995  1.0
  Mg  Mg6  1  0.3333  0.6667  0.9997  1.0
  Sc  Sc7  1  0.0000  0.0000  0.4384  1.0
]