data_[Pr12Zn4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0386]
_cell_length_b [3.8324]
_cell_length_c [8.8971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3ZnCu]
_chemical_formula_sum '[Pr12 Zn4 Cu4]'
_cell_volume [546.0612]
_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  0.0550  0.5000  0.7094  1.0
  Pr  Pr1  4  0.0988  0.0000  0.0753  1.0
  Pr  Pr2  4  0.2376  0.5000  0.3183  1.0
  Zn  Zn3  4  0.0930  0.0000  0.4361  1.0
  Cu  Cu4  4  0.2140  0.5000  0.9366  1.0
]