data_[La8Pr4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3115]
_cell_length_b [15.9599]
_cell_length_c [7.5146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La2PrGa3]
_chemical_formula_sum '[La8 Pr4 Ga12]'
_cell_volume [637.0155]
_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
[
  La  La0  4  0.0000  0.3349  0.5000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  La  La2  2  0.0000  0.0000  0.5000  1
  Pr  Pr3  4  0.0000  0.3331  0.0000  1
  Ga  Ga4  8  0.0000  0.1682  0.2461  1
  Ga  Ga5  4  0.0000  0.5000  0.2453  1
]