data_[Pr6Zn14Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1585]
_cell_length_b [4.2548]
_cell_length_c [9.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Zn7Ni4]
_chemical_formula_sum '[Pr6 Zn14 Ni8]'
_cell_volume [495.6517]
_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  0.1961  0.5000  0.2023  1
  Pr  Pr1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  4  0.0056  0.5000  0.7894  1
  Zn  Zn3  4  0.1443  0.0000  0.9136  1
  Zn  Zn4  4  0.1754  0.5000  0.5187  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
  Ni  Ni6  4  0.1121  0.0000  0.3265  1
  Ni  Ni7  4  0.1688  0.5000  0.7906  1
]