data_[La4Mn3Ni1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5859]
_cell_length_b [5.6058]
_cell_length_c [7.8787]
_cell_angle_alpha [89.8239]
_cell_angle_beta [89.6436]
_cell_angle_gamma [89.4568]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La4Mn3NiO12]
_chemical_formula_sum '[La4 Mn3 Ni1 O12]'
_cell_volume [246.6935]
_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  2  0.0139  0.0339  0.7539  1.0
  La  La1  2  0.4960  0.5298  0.7524  1.0
  Mn  Mn2  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn3  1  0.5000  0.0000  0.0000  1.0
  Mn  Mn4  1  0.5000  0.0000  0.5000  1.0
  Ni  Ni5  1  0.0000  0.5000  0.0000  1.0
  O  O6  2  0.0773  0.5143  0.2570  1.0
  O  O7  2  0.2316  0.7856  0.9577  1.0
  O  O8  2  0.2322  0.7907  0.5460  1.0
  O  O9  2  0.2796  0.2836  0.5447  1.0
  O  O10  2  0.2875  0.2723  0.9553  1.0
  O  O11  2  0.4154  0.0141  0.2415  1.0
]