data_[Li3Mg1Ni3O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2]
_cell_length_a [4.9174]
_cell_length_b [5.7852]
_cell_length_c [5.1003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Li3MgNi3O8]
_chemical_formula_sum '[Li3 Mg1 Ni3 O8]'
_cell_volume [138.1969]
_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
[
  Li  Li0  1  0.0000  0.2615  0.0000  1
  Li  Li1  1  0.5000  0.5085  0.0000  1
  Li  Li2  1  0.5000  0.9731  0.0000  1
  Mg  Mg3  1  0.5000  0.2511  0.5000  1
  Ni  Ni4  1  0.0000  0.5050  0.5000  1
  Ni  Ni5  1  0.0000  0.9998  0.5000  1
  Ni  Ni6  1  0.5000  0.7469  0.5000  1
  O  O7  2  0.2131  0.2671  0.7256  1
  O  O8  2  0.2458  0.7412  0.7074  1
  O  O9  2  0.2573  0.5121  0.2932  1
  O  O10  2  0.2658  0.9841  0.2912  1
]