data_[La4Pr16Mg4]
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 [Cmc2_1]
_cell_length_a [5.1058]
_cell_length_b [15.4906]
_cell_length_c [10.3242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaPr4Mg]
_chemical_formula_sum '[La4 Pr16 Mg4]'
_cell_volume [816.5535]
_cell_formula_units_Z [4]
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  4  0.0000  0.1702  0.0547  1.0
  Pr  Pr1  4  0.0000  0.0023  0.8033  1.0
  Pr  Pr2  4  0.0000  0.1688  0.5503  1.0
  Pr  Pr3  4  0.0000  0.3323  0.8028  1.0
  Pr  Pr4  4  0.0000  0.4989  0.0533  1.0
  Mg  Mg5  4  0.0000  0.3342  0.3023  1.0
]