data_[Pr45Ho6Mg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.3702]
_cell_length_b [11.3702]
_cell_length_c [17.9870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr15(HoMg)2]
_chemical_formula_sum '[Pr45 Ho6 Mg6]'
_cell_volume [2013.8404]
_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
[
  Pr  Pr0  18  0.0000  0.2963  0.0000  1
  Pr  Pr1  18  0.0221  0.5111  0.1377  1
  Pr  Pr2  9  0.0000  0.5000  0.5000  1
  Ho  Ho3  6  0.0000  0.0000  0.3105  1
  Mg  Mg4  6  0.0000  0.0000  0.0922  1
]