data_[La3Pr1Mn4O12]
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
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6123]
_cell_length_b [7.9497]
_cell_length_c [5.6296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3PrMn4O12]
_chemical_formula_sum '[La3 Pr1 Mn4 O12]'
_cell_volume [251.1676]
_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  0.0094  0.5000  0.0323  1.0
  La  La1  1  0.4919  0.5000  0.5316  1.0
  La  La2  1  0.9914  0.0000  0.9670  1.0
  Pr  Pr3  1  0.5114  0.0000  0.4615  1.0
  Mn  Mn4  2  0.0002  0.2492  0.5005  1.0
  Mn  Mn5  2  0.4997  0.2496  0.9993  1.0
  O  O6  2  0.2217  0.2953  0.7848  1.0
  O  O7  2  0.2778  0.2943  0.2837  1.0
  O  O8  2  0.7208  0.2031  0.7153  1.0
  O  O9  2  0.7750  0.2030  0.2182  1.0
  O  O10  1  0.0876  0.0000  0.5137  1.0
  O  O11  1  0.4166  0.0000  0.0167  1.0
  O  O12  1  0.5842  0.5000  0.9868  1.0
  O  O13  1  0.9170  0.5000  0.4868  1.0
]