data_[La4Mn1Ni3O12]
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 [5.4548]
_cell_length_b [5.4569]
_cell_length_c [9.5702]
_cell_angle_alpha [91.2696]
_cell_angle_beta [105.8810]
_cell_angle_gamma [118.7232]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La4Mn(NiO4)3]
_chemical_formula_sum '[La4 Mn1 Ni3 O12]'
_cell_volume [236.2593]
_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  0.2471  0.1240  0.3713  1.0
  La  La1  2  0.2520  0.6271  0.8791  1.0
  Mn  Mn2  1  0.0000  0.5000  0.5000  1.0
  Ni  Ni3  2  0.4976  0.2484  0.7488  1.0
  Ni  Ni4  1  0.0000  0.0000  0.0000  1.0
  O  O5  2  0.1758  0.3090  0.6191  1.0
  O  O6  2  0.1826  0.8134  0.1215  1.0
  O  O7  2  0.2392  0.8302  0.6556  1.0
  O  O8  2  0.2433  0.3375  0.1534  1.0
  O  O9  2  0.3061  0.1511  0.9083  1.0
  O  O10  2  0.3119  0.6521  0.4125  1.0
]