data_[Pr8Y6Mg2]
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 [C2/m]
_cell_length_a [23.4821]
_cell_length_b [3.6599]
_cell_length_c [6.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Y3Mg]
_chemical_formula_sum '[Pr8 Y6 Mg2]'
_cell_volume [530.5848]
_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  0.1206  0.0000  0.8822  1.0
  Pr  Pr1  4  0.1267  0.5000  0.3839  1.0
  Y  Y2  4  0.2484  0.5000  0.7505  1.0
  Y  Y3  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
]