data_[Pr1Fe1Cu2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3612]
_cell_length_b [4.3612]
_cell_length_c [9.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PrFe(CuSb2)2]
_chemical_formula_sum '[Pr1 Fe1 Cu2 Sb4]'
_cell_volume [177.3997]
_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  0.5000  0.5000  0.7543  1
  Fe  Fe1  1  0.0000  0.0000  0.2333  1
  Cu  Cu2  2  0.0000  0.5000  0.4825  1
  Sb  Sb3  2  0.0000  0.5000  0.0333  1
  Sb  Sb4  1  0.0000  0.0000  0.6566  1
  Sb  Sb5  1  0.5000  0.5000  0.3242  1
]