data_[Pr6Mg3Ni27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9925]
_cell_length_b [4.9925]
_cell_length_c [24.1615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr2MgNi9]
_chemical_formula_sum '[Pr6 Mg3 Ni27]'
_cell_volume [521.5344]
_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  3  0.0000  0.0000  0.1431  1.0
  Pr  Pr1  3  0.0000  0.0000  0.9955  1.0
  Mg  Mg2  3  0.0000  0.0000  0.8611  1.0
  Ni  Ni3  9  0.1672  0.3343  0.2505  1.0
  Ni  Ni4  9  0.1672  0.3345  0.4157  1.0
  Ni  Ni5  3  0.0000  0.0000  0.3333  1.0
  Ni  Ni6  3  0.0000  0.0000  0.5010  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6675  1.0
]