data_[Pr1Sm4Cu5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5754]
_cell_length_b [3.5754]
_cell_length_c [17.8058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PrSm4Cu5]
_chemical_formula_sum '[Pr1 Sm4 Cu5]'
_cell_volume [227.6227]
_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  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.2027  1.0
  Sm  Sm2  2  0.0000  0.0000  0.4006  1.0
  Cu  Cu3  2  0.5000  0.5000  0.1064  1.0
  Cu  Cu4  2  0.5000  0.5000  0.3011  1.0
  Cu  Cu5  1  0.5000  0.5000  0.5000  1.0
]