data_[Pr4Al3Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7993]
_cell_length_b [4.5271]
_cell_length_c [12.2484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4Al3Cu]
_chemical_formula_sum '[Pr4 Al3 Cu1]'
_cell_volume [210.6676]
_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  1  0.0000  0.0000  0.1486  1.0
  Pr  Pr1  1  0.0000  0.5000  0.8549  1.0
  Pr  Pr2  1  0.5000  0.0000  0.6549  1.0
  Pr  Pr3  1  0.5000  0.5000  0.3416  1.0
  Al  Al4  1  0.0000  0.0000  0.4374  1.0
  Al  Al5  1  0.0000  0.5000  0.5602  1.0
  Al  Al6  1  0.5000  0.0000  0.9432  1.0
  Cu  Cu7  1  0.5000  0.5000  0.0592  1.0
]