data_[Pr6Mg48Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.2279]
_cell_length_b [10.2279]
_cell_length_c [15.1630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr2Mg16Zn]
_chemical_formula_sum '[Pr6 Mg48 Zn3]'
_cell_volume [1373.6909]
_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  3  0.0000  0.0000  0.3279  1
  Pr  Pr1  3  0.0000  0.0000  0.6760  1
  Mg  Mg2  18  0.0325  0.3656  0.6676  1
  Mg  Mg3  9  0.0055  0.5027  0.5013  1
  Mg  Mg4  9  0.0067  0.5034  0.1540  1
  Mg  Mg5  9  0.1689  0.3379  0.1815  1
  Mg  Mg6  3  0.0000  0.0000  0.0864  1
  Zn  Zn7  3  0.0000  0.0000  0.8935  1
]