data_[Pr2Mg8Zn2]
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 [Pmma]
_cell_length_a [8.3530]
_cell_length_b [4.4054]
_cell_length_c [7.7878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrMg4Zn]
_chemical_formula_sum '[Pr2 Mg8 Zn2]'
_cell_volume [286.5771]
_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  2  0.2500  0.0000  0.3831  1.0
  Mg  Mg1  4  0.0591  0.5000  0.6912  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  2  0.2500  0.5000  0.0519  1.0
  Zn  Zn4  2  0.2500  0.0000  0.7811  1.0
]