data_[La2Mn1Ni1O6]
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 [5.4856]
_cell_length_b [5.4912]
_cell_length_c [5.5257]
_cell_angle_alpha [60.8802]
_cell_angle_beta [60.5924]
_cell_angle_gamma [60.4483]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2MnNiO6]
_chemical_formula_sum '[La2 Mn1 Ni1 O6]'
_cell_volume [119.3940]
_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  0.2501  0.2420  0.2583  1.0
  Mn  Mn1  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.2037  0.7788  0.3116  1.0
  O  O4  2  0.2603  0.6590  0.8227  1.0
  O  O5  2  0.3085  0.2064  0.7005  1.0
]