data_[La8Mg2Ni2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5406]
_cell_length_b [12.5311]
_cell_length_c [5.5363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La4MgNiO8]
_chemical_formula_sum '[La8 Mg2 Ni2 O16]'
_cell_volume [384.3892]
_cell_formula_units_Z [2]
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  4  0.0000  0.1367  0.0000  1.0
  La  La1  4  0.0000  0.3633  0.5000  1.0
  Mg  Mg2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.5000  1.0
  O  O4  8  0.2486  0.5000  0.2490  1.0
  O  O5  4  0.0000  0.1789  0.5000  1.0
  O  O6  4  0.0000  0.3213  0.0000  1.0
]