data_[La12Pr4Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [11.0218]
_cell_length_b [11.0218]
_cell_length_c [5.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [La6Pr2Mg]
_chemical_formula_sum '[La12 Pr4 Mg2]'
_cell_volume [633.3015]
_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
[
  La  La0  8  0.0031  0.3295  0.5000  1.0
  La  La1  4  0.1621  0.8379  0.0000  1.0
  Pr  Pr2  4  0.1721  0.1721  0.0000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.5000  1.0
]