data_[Pr13Mg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3912]
_cell_length_b [8.2859]
_cell_length_c [10.7265]
_cell_angle_alpha [71.9221]
_cell_angle_beta [74.1542]
_cell_angle_gamma [82.6586]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr13Mg2]
_chemical_formula_sum '[Pr13 Mg2]'
_cell_volume [518.9067]
_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  2  0.0577  0.4048  0.7243  1.0
  Pr  Pr1  2  0.2043  0.1932  0.2117  1.0
  Pr  Pr2  2  0.2646  0.5999  0.9351  1.0
  Pr  Pr3  2  0.3107  0.0008  0.6589  1.0
  Pr  Pr4  2  0.4330  0.3912  0.4004  1.0
  Pr  Pr5  2  0.4681  0.7955  0.1422  1.0
  Pr  Pr6  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg7  2  0.1339  0.8009  0.4661  1.0
]