data_[Pr16Mg4Zn2]
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 [C2/m]
_cell_length_a [18.7919]
_cell_length_b [5.5023]
_cell_length_c [7.1296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Mg2Zn]
_chemical_formula_sum '[Pr16 Mg4 Zn2]'
_cell_volume [712.7194]
_cell_formula_units_Z [2]
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  4  0.0182  0.0000  0.7692  1.0
  Pr  Pr1  4  0.0927  0.5000  0.4505  1.0
  Pr  Pr2  4  0.1571  0.5000  0.9549  1.0
  Pr  Pr3  4  0.1969  0.0000  0.2792  1.0
  Mg  Mg4  4  0.1872  0.0000  0.7213  1.0
  Zn  Zn5  2  0.0000  0.5000  0.0000  1.0
]