data_[Pr1Ni6Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.2693]
_cell_length_b [7.2693]
_cell_length_c [4.1155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Pr(Ni3Sb2)2]
_chemical_formula_sum '[Pr1 Ni6 Sb4]'
_cell_volume [188.3383]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  3  0.0846  0.5423  0.0000  1.0
  Ni  Ni2  3  0.4188  0.2094  0.5000  1.0
  Sb  Sb3  3  0.1893  0.3785  0.5000  1.0
  Sb  Sb4  1  0.6667  0.3333  0.0000  1.0
]