data_[Li6Pr12Zn6Ga36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R-3m]
_cell_length_a [6.3989]
_cell_length_b [6.3989]
_cell_length_c [34.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiPr2ZnGa6]
_chemical_formula_sum '[Li6 Pr12 Zn6 Ga36]'
_cell_volume [1227.2541]
_cell_formula_units_Z [6]
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
[
  Li  Li0  3  -0.0000  -0.0000  0.5000  1
  Li  Li1  3  0.0000  0.0000  0.0000  1
  Pr  Pr2  6  0.0000  0.0000  0.1078  1
  Pr  Pr3  6  0.0000  0.0000  0.2845  1
  Zn  Zn4  6  0.0000  0.0000  0.4279  1
  Ga  Ga5  18  0.0453  0.5226  0.2988  1
  Ga  Ga6  18  0.0648  0.5324  0.8650  1
]