data_[Pr2Mg8Ni2]
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 [Pmma]
_cell_length_a [8.5512]
_cell_length_b [4.2335]
_cell_length_c [7.4446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrMg4Ni]
_chemical_formula_sum '[Pr2 Mg8 Ni2]'
_cell_volume [269.5075]
_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  2  0.2500  0.0000  0.4077  1.0
  Mg  Mg1  4  0.0650  0.5000  0.6993  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  2  0.2500  0.5000  0.0439  1.0
  Ni  Ni4  2  0.2500  0.0000  0.7952  1.0
]