data_[Li4Pr4Ga8]
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 [Pnma]
_cell_length_a [7.5168]
_cell_length_b [3.9461]
_cell_length_c [11.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiPrGa2]
_chemical_formula_sum '[Li4 Pr4 Ga8]'
_cell_volume [349.6042]
_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  0.1172  0.2500  0.5499  1.0
  Pr  Pr1  4  0.1370  0.2500  0.8622  1.0
  Ga  Ga2  4  0.0331  0.2500  0.3311  1.0
  Ga  Ga3  4  0.1928  0.2500  0.1401  1.0
]