data_[Pr16Zn2Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1065]
_cell_length_b [5.1857]
_cell_length_c [6.9992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8ZnGa2]
_chemical_formula_sum '[Pr16 Zn2 Ga4]'
_cell_volume [669.2721]
_cell_formula_units_Z [2]
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  0.0183  0.0000  0.7738  1
  Pr  Pr1  4  0.0934  0.5000  0.4710  1
  Pr  Pr2  4  0.1606  0.5000  0.9775  1
  Pr  Pr3  4  0.2057  0.0000  0.3155  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Ga  Ga5  4  0.1818  0.0000  0.7403  1
]