data_[Pr4Y8Mg2]
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 [P2_1/c]
_cell_length_a [6.4425]
_cell_length_b [12.3083]
_cell_length_c [6.5658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2Y4Mg]
_chemical_formula_sum '[Pr4 Y8 Mg2]'
_cell_volume [467.9449]
_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  0.2868  0.0607  0.5688  1
  Y  Y1  4  0.0914  0.7276  0.8322  1
  Y  Y2  4  0.4186  0.1658  0.1306  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
]