data_[La4Pr4Mg6]
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 [Cmmm]
_cell_length_a [3.9602]
_cell_length_b [28.5544]
_cell_length_c [3.8948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La2Pr2Mg3]
_chemical_formula_sum '[La4 Pr4 Mg6]'
_cell_volume [440.4272]
_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  0.0000  0.2969  0.5000  1
  Pr  Pr1  4  0.0000  0.4317  0.5000  1
  Mg  Mg2  4  0.0000  0.1338  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
]