data_[La3Nd1Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5655]
_cell_length_b [7.8499]
_cell_length_c [5.7698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3NdMn4O12]
_chemical_formula_sum '[La3 Nd1 Mn4 O12]'
_cell_volume [252.0746]
_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  0.0101  0.5000  0.0496  1
  La  La1  1  0.4910  0.5000  0.5475  1
  La  La2  1  0.9903  0.0000  0.9502  1
  Nd  Nd3  1  0.5117  0.0000  0.4432  1
  Mn  Mn4  2  0.0003  0.2487  0.5003  1
  Mn  Mn5  2  0.4996  0.2493  0.9993  1
  O  O6  2  0.2163  0.2926  0.8047  1
  O  O7  2  0.2825  0.2914  0.3041  1
  O  O8  2  0.7158  0.2036  0.6942  1
  O  O9  2  0.7794  0.2051  0.1990  1
  O  O10  1  0.0901  0.0000  0.5181  1
  O  O11  1  0.4173  0.0000  0.0228  1
  O  O12  1  0.5824  0.5000  0.9822  1
  O  O13  1  0.9190  0.5000  0.4833  1
]