data_[Ac3Ho3Mg51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.3289]
_cell_length_b [10.3289]
_cell_length_c [15.3000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcHoMg17]
_chemical_formula_sum '[Ac3 Ho3 Mg51]'
_cell_volume [1413.6198]
_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
[
  Ac  Ac0  3  0.0000  0.0000  0.3338  1
  Ho  Ho1  3  0.0000  0.0000  0.6717  1
  Mg  Mg2  18  0.0348  0.3639  0.6667  1
  Mg  Mg3  9  0.1688  0.3375  0.4839  1
  Mg  Mg4  9  0.1698  0.3396  0.8352  1
  Mg  Mg5  9  0.1757  0.3515  0.1809  1
  Mg  Mg6  3  0.0000  0.0000  0.0955  1
  Mg  Mg7  3  0.0000  0.0000  0.8989  1
]