data_[La4Pr12Mg4]
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 [C2/m]
_cell_length_a [21.3834]
_cell_length_b [3.6865]
_cell_length_c [8.9219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPr3Mg]
_chemical_formula_sum '[La4 Pr12 Mg4]'
_cell_volume [689.6634]
_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  0.1282  0.5000  0.1205  1
  Pr  Pr1  4  0.0314  0.0000  0.7961  1
  Pr  Pr2  4  0.1845  0.0000  0.4518  1
  Pr  Pr3  4  0.2031  0.5000  0.8176  1
  Mg  Mg4  4  0.0659  0.5000  0.4919  1
]