data_[La3Pr6Mg2]
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 [P-1]
_cell_length_a [6.3510]
_cell_length_b [8.0202]
_cell_length_c [8.2015]
_cell_angle_alpha [106.9038]
_cell_angle_beta [105.5485]
_cell_angle_gamma [96.7563]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3(Pr3Mg)2]
_chemical_formula_sum '[La3 Pr6 Mg2]'
_cell_volume [376.3093]
_cell_formula_units_Z [1]
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  2  0.0911  0.8150  0.3645  1
  La  La1  1  0.0000  0.0000  0.0000  1
  Pr  Pr2  2  0.1913  0.6331  0.7385  1
  Pr  Pr3  2  0.3636  0.2762  0.4415  1
  Pr  Pr4  2  0.4472  0.0978  0.8175  1
  Mg  Mg5  2  0.2674  0.4557  0.0916  1
]