data_[Pr4Sm16Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0440]
_cell_length_b [13.7277]
_cell_length_c [6.3828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrSm4Zn]
_chemical_formula_sum '[Pr4 Sm16 Zn4]'
_cell_volume [750.1955]
_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
[
  Pr  Pr0  4  0.0000  0.4035  0.7500  1
  Sm  Sm1  8  0.1041  0.1802  0.0512  1
  Sm  Sm2  8  0.2247  0.3897  0.3729  1
  Zn  Zn3  4  0.0000  0.0003  0.7500  1
]