data_[Pr12Zn4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2509]
_cell_length_b [3.8879]
_cell_length_c [9.0484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3ZnAu]
_chemical_formula_sum '[Pr12 Zn4 Au4]'
_cell_volume [570.7793]
_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
[
  Pr  Pr0  4  0.0533  0.5000  0.6984  1.0
  Pr  Pr1  4  0.0954  0.0000  0.0787  1.0
  Pr  Pr2  4  0.2327  0.5000  0.3255  1.0
  Zn  Zn3  4  0.2127  0.5000  0.9206  1.0
  Au  Au4  4  0.0924  0.0000  0.4405  1.0
]