data_[La2Re1Ni1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  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 [5.5230]
_cell_length_b [5.5570]
_cell_length_c [5.5665]
_cell_angle_alpha [61.3076]
_cell_angle_beta [60.8620]
_cell_angle_gamma [60.8173]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2ReNiO6]
_chemical_formula_sum '[La2 Re1 Ni1 O6]'
_cell_volume [123.5098]
_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  0.2504  0.2597  0.2386  1
  Re  Re1  1  0.5000  0.5000  0.5000  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1883  0.3134  0.7961  1
  O  O4  2  0.2519  0.8442  0.6520  1
  O  O5  2  0.3133  0.7026  0.1876  1
]