data_[Pr4Sm8Zn12]
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 [Cmmm]
_cell_length_a [5.1713]
_cell_length_b [15.5563]
_cell_length_c [7.3386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [PrSm2Zn3]
_chemical_formula_sum '[Pr4 Sm8 Zn12]'
_cell_volume [590.3547]
_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  0.3340  0.0000  1
  Sm  Sm1  4  0.0000  0.3324  0.5000  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Sm  Sm3  2  0.0000  0.0000  0.5000  1
  Zn  Zn4  8  0.0000  0.1646  0.2571  1
  Zn  Zn5  4  0.0000  0.5000  0.2564  1
]