data_[La5Re3Ni1O16]
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 [5.6717]
_cell_length_b [5.6862]
_cell_length_c [10.2450]
_cell_angle_alpha [93.5230]
_cell_angle_beta [93.4430]
_cell_angle_gamma [90.5664]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La5Re3NiO16]
_chemical_formula_sum '[La5 Re3 Ni1 O16]'
_cell_volume [329.1522]
_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  0.0340  0.5057  0.2052  1
  La  La1  2  0.4867  0.9737  0.8038  1
  La  La2  1  0.0000  0.0000  0.5000  1
  Re  Re3  2  0.4437  0.4442  0.6059  1
  Re  Re4  1  0.0000  0.0000  0.0000  1
  Ni  Ni5  1  0.5000  0.5000  0.0000  1
  O  O6  2  0.0721  0.0785  0.1844  1
  O  O7  2  0.1820  0.2868  0.9631  1
  O  O8  2  0.2233  0.6960  0.6342  1
  O  O9  2  0.2237  0.2192  0.6758  1
  O  O10  2  0.2964  0.7678  0.3630  1
  O  O11  2  0.3046  0.8108  0.9999  1
  O  O12  2  0.3104  0.3043  0.4349  1
  O  O13  2  0.4552  0.4513  0.1974  1
]