data_[Pr6Mg4Ni8]
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 [C2/m]
_cell_length_a [10.2188]
_cell_length_b [4.1210]
_cell_length_c [9.0268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(MgNi2)2]
_chemical_formula_sum '[Pr6 Mg4 Ni8]'
_cell_volume [378.3455]
_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  0.1282  0.5000  0.3787  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1737  0.5000  0.7839  1.0
  Ni  Ni3  4  0.0766  0.0000  0.6162  1.0
  Ni  Ni4  4  0.2197  0.5000  0.0722  1.0
]