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 [11.8086]
_cell_length_b [7.4137]
_cell_length_c [6.4142]
_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 [561.5359]
_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  0.6346  0.8525  1.0
  La  La1  2  0.0000  0.3926  0.0464  1.0
  La  La2  2  0.0000  0.6280  0.5050  1.0
  Pr  Pr3  4  0.2405  0.1244  0.8509  1.0
  Pr  Pr4  2  0.0000  0.1272  0.5046  1.0
  Mg  Mg5  2  0.0000  0.8889  0.0219  1.0
]