data_[Pr12Zn4In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5564]
_cell_length_b [4.7821]
_cell_length_c [15.4062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3ZnIn3]
_chemical_formula_sum '[Pr12 Zn4 In12]'
_cell_volume [805.9465]
_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  0.0488  0.5000  0.3883  1
  Pr  Pr1  4  0.0932  0.5000  0.9153  1
  Pr  Pr2  4  0.2459  0.5000  0.2215  1
  Zn  Zn3  4  0.2492  0.0000  0.3907  1
  In  In4  4  0.0399  0.0000  0.2395  1
  In  In5  4  0.1192  0.0000  0.0718  1
  In  In6  4  0.1357  0.0000  0.5471  1
]