data_[La8Pr6Mg2]
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 [Pmn2_1]
_cell_length_a [11.8279]
_cell_length_b [7.3732]
_cell_length_c [6.4235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La4Pr3Mg]
_chemical_formula_sum '[La8 Pr6 Mg2]'
_cell_volume [560.1900]
_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  4  0.2364  0.3649  0.1479  1
  La  La1  2  0.0000  0.3699  0.4947  1
  La  La2  2  0.0000  0.6077  0.9546  1
  Pr  Pr3  4  0.2401  0.8756  0.1484  1
  Pr  Pr4  2  0.0000  0.8738  0.4948  1
  Mg  Mg5  2  0.0000  0.1111  0.9785  1
]