data_[Pr9Co6Ni21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0625]
_cell_length_b [5.0625]
_cell_length_c [25.0034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr3Co2Ni7]
_chemical_formula_sum '[Pr9 Co6 Ni21]'
_cell_volume [554.9661]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1383  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0000  1.0
  Co  Co2  6  0.0000  0.0000  0.3324  1.0
  Ni  Ni3  18  0.0016  0.5008  0.0798  1.0
  Ni  Ni4  3  -0.0000  -0.0000  0.5000  1.0
]