data_[Ho6Mg9Sc9]
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 [R3m]
_cell_length_a [5.2232]
_cell_length_b [5.2232]
_cell_length_c [25.7290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho2(MgSc)3]
_chemical_formula_sum '[Ho6 Mg9 Sc9]'
_cell_volume [607.8898]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4996  1
  Ho  Ho1  3  0.0000  0.0000  0.9997  1
  Mg  Mg2  3  0.0000  0.0000  0.1229  1
  Mg  Mg3  3  0.0000  0.0000  0.6271  1
  Mg  Mg4  3  0.0000  0.0000  0.8751  1
  Sc  Sc5  3  0.0000  0.0000  0.2484  1
  Sc  Sc6  3  0.0000  0.0000  0.3745  1
  Sc  Sc7  3  0.0000  0.0000  0.7526  1
]