data_[Pr4Zn2Si2Ni12]
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
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3213]
_cell_length_b [4.9905]
_cell_length_c [7.9365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2ZnSiNi6]
_chemical_formula_sum '[Pr4 Zn2 Si2 Ni12]'
_cell_volume [330.9011]
_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  0.2451  0.0000  0.1978  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  8  0.0203  0.2550  0.2834  1.0
  Ni  Ni4  4  0.2499  0.5000  0.4104  1.0
]