data_[Li4Pr8Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5760]
_cell_length_b [4.6986]
_cell_length_c [10.9176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PrGa)2]
_chemical_formula_sum '[Li4 Pr8 Ga8]'
_cell_volume [484.0114]
_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
[
  Li  Li0  4  0.1382  0.5000  0.3628  1.0
  Pr  Pr1  4  0.0851  0.0000  0.8938  1.0
  Pr  Pr2  4  0.1900  0.5000  0.6726  1.0
  Ga  Ga3  4  0.0698  0.0000  0.4314  1.0
  Ga  Ga4  4  0.1239  0.5000  0.1092  1.0
]