data_[Pr6Si4Ni18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9109]
_cell_length_b [9.5743]
_cell_length_c [11.9330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Si2Ni9]
_chemical_formula_sum '[Pr6 Si4 Ni18]'
_cell_volume [446.8203]
_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  0.0000  0.0000  0.3082  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0000  0.2338  0.5000  1.0
  Ni  Ni3  8  0.0000  0.2818  0.1040  1.0
  Ni  Ni4  8  0.0000  0.3083  0.3078  1.0
  Ni  Ni5  2  0.0000  0.5000  0.0000  1.0
]