data_[Pr8Y8Mg24]
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 [Imma]
_cell_length_a [5.2735]
_cell_length_b [19.5372]
_cell_length_c [10.7498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PrYMg3]
_chemical_formula_sum '[Pr8 Y8 Mg24]'
_cell_volume [1107.5462]
_cell_formula_units_Z [8]
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  8  0.0000  0.0513  0.6236  1
  Y  Y1  4  0.0000  0.2500  0.1190  1
  Y  Y2  4  0.0000  0.2500  0.6211  1
  Mg  Mg3  8  0.0000  0.0610  0.1044  1
  Mg  Mg4  8  0.0000  0.1428  0.3625  1
  Mg  Mg5  8  0.0000  0.1552  0.8720  1
]