data_[La1Pr3Ga4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5385]
_cell_length_b [7.8595]
_cell_length_c [5.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaPr3(GaO3)4]
_chemical_formula_sum '[La1 Pr3 Ga4 O12]'
_cell_volume [242.4674]
_cell_formula_units_Z [1]
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  1  0.5079  0.5000  0.5313  1.0
  Pr  Pr1  1  0.0087  0.0000  0.9630  1.0
  Pr  Pr2  1  0.4904  0.0000  0.4623  1.0
  Pr  Pr3  1  0.9907  0.5000  0.0367  1.0
  Ga  Ga4  2  0.5000  0.2496  0.9991  1.0
  Ga  Ga5  2  0.9999  0.2494  0.5004  1.0
  O  O6  2  0.2164  0.2074  0.2158  1.0
  O  O7  2  0.2841  0.2063  0.7154  1.0
  O  O8  2  0.7168  0.2914  0.2842  1.0
  O  O9  2  0.7862  0.2913  0.7870  1.0
  O  O10  1  0.0755  0.5000  0.4832  1.0
  O  O11  1  0.4208  0.5000  0.9856  1.0
  O  O12  1  0.5787  0.0000  0.0173  1.0
  O  O13  1  0.9204  0.0000  0.5171  1.0
]