data_[La1Nd3Cr4O12]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5044]
_cell_length_b [7.8444]
_cell_length_c [5.6059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaNd3Cr4O12]
_chemical_formula_sum '[La1 Nd3 Cr4 O12]'
_cell_volume [242.0570]
_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  0.5084  0.5000  0.5404  1.0
  Nd  Nd1  1  0.0103  0.0000  0.9522  1.0
  Nd  Nd2  1  0.4887  0.0000  0.4505  1.0
  Nd  Nd3  1  0.9891  0.5000  0.0476  1.0
  Cr  Cr4  2  0.5005  0.2492  0.9990  1.0
  Cr  Cr5  2  0.9997  0.2488  0.5005  1.0
  O  O6  2  0.2077  0.2032  0.2083  1.0
  O  O7  2  0.2933  0.2021  0.7075  1.0
  O  O8  2  0.7084  0.2934  0.2909  1.0
  O  O9  2  0.7966  0.2941  0.7956  1.0
  O  O10  1  0.0798  0.5000  0.4756  1.0
  O  O11  1  0.4123  0.5000  0.9813  1.0
  O  O12  1  0.5874  0.0000  0.0239  1.0
  O  O13  1  0.9117  0.0000  0.5248  1.0
]