data_[Ho8Mg4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7170]
_cell_length_b [5.3058]
_cell_length_c [9.6604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ho2Mg]
_chemical_formula_sum '[Ho8 Mg4]'
_cell_volume [344.2883]
_cell_formula_units_Z [4]
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  0.0294  0.7500  0.2839  1.0
  Ho  Ho1  4  0.1783  0.7500  0.9324  1.0
  Mg  Mg2  4  0.1959  0.7500  0.5998  1.0
]