data_[Pr4Zn12Ga8]
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 [15.6635]
_cell_length_b [4.2207]
_cell_length_c [7.6812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrZn3Ga2]
_chemical_formula_sum '[Pr4 Zn12 Ga8]'
_cell_volume [457.9351]
_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  0.1479  0.0000  0.0743  1.0
  Zn  Zn1  4  0.0355  0.0000  0.3728  1.0
  Zn  Zn2  4  0.1032  0.5000  0.6977  1.0
  Zn  Zn3  4  0.1876  0.5000  0.4567  1.0
  Ga  Ga4  4  0.0209  0.5000  0.1750  1.0
  Ga  Ga5  4  0.1975  0.0000  0.7046  1.0
]