data_[Pr2Mg1Al3Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3325]
_cell_length_b [4.3325]
_cell_length_c [10.1308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pr2MgAl3Cu4]
_chemical_formula_sum '[Pr2 Mg1 Al3 Cu4]'
_cell_volume [190.1588]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.7661  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Al  Al2  2  0.0000  0.5000  0.1230  1.0
  Al  Al3  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu4  2  0.0000  0.5000  0.3628  1.0
  Cu  Cu5  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu6  1  0.5000  0.5000  0.0000  1.0
]