data_[Ba4Pr2Ga4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7724]
_cell_length_b [4.6807]
_cell_length_c [8.1362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Pr(GaSb2)2]
_chemical_formula_sum '[Ba4 Pr2 Ga4 Sb8]'
_cell_volume [603.9800]
_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
[
  Ba  Ba0  4  0.1315  0.0000  0.5710  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1710  0.5000  0.9912  1.0
  Sb  Sb3  4  0.0165  0.5000  0.7370  1.0
  Sb  Sb4  4  0.2067  0.0000  0.1946  1.0
]