data_[La1Nd3Mn4O12]
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 [5.5268]
_cell_length_b [7.7246]
_cell_length_c [5.8651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaNd3Mn4O12]
_chemical_formula_sum '[La1 Nd3 Mn4 O12]'
_cell_volume [250.3955]
_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  0.5122  0.5000  0.5587  1.0
  Nd  Nd1  1  0.0146  0.0000  0.9349  1.0
  Nd  Nd2  1  0.4844  0.0000  0.4325  1.0
  Nd  Nd3  1  0.9853  0.5000  0.0656  1.0
  Mn  Mn4  2  0.5006  0.2494  0.9990  1.0
  Mn  Mn5  2  0.9993  0.2486  0.5005  1.0
  O  O6  2  0.2182  0.2009  0.1899  1.0
  O  O7  2  0.2831  0.2000  0.6890  1.0
  O  O8  2  0.7185  0.2954  0.3086  1.0
  O  O9  2  0.7866  0.2970  0.8139  1.0
  O  O10  1  0.0882  0.5000  0.4744  1.0
  O  O11  1  0.4041  0.5000  0.9782  1.0
  O  O12  1  0.5966  0.0000  0.0257  1.0
  O  O13  1  0.9021  0.0000  0.5279  1.0
]