data_[Pr4Y10Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.0632]
_cell_length_b [7.0632]
_cell_length_c [10.3161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pr2Y5Mg]
_chemical_formula_sum '[Pr4 Y10 Mg2]'
_cell_volume [514.6531]
_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  0.0000  0.5000  0.0000  1.0
  Y  Y1  8  0.2500  0.2500  0.2500  1.0
  Y  Y2  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
]