data_[La20Pr4Mg4]
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/c]
_cell_length_a [12.0829]
_cell_length_b [6.8664]
_cell_length_c [13.1438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5PrMg]
_chemical_formula_sum '[La20 Pr4 Mg4]'
_cell_volume [984.8811]
_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  8  0.1669  0.5141  0.0154  1
  La  La1  8  0.2401  0.3964  0.7770  1
  La  La2  4  0.0000  0.2754  0.2500  1
  Pr  Pr3  4  0.0000  0.1835  0.7500  1
  Mg  Mg4  4  0.0000  0.0000  0.0000  1
]