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/m]
_cell_length_a [4.9188]
_cell_length_b [5.7869]
_cell_length_c [5.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li3MgNi3O8]
_chemical_formula_sum '[Li3 Mg1 Ni3 O8]'
_cell_volume [137.8039]
_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  2  0.5000  0.2408  0.5000  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni3  2  0.0000  0.2473  0.0000  1.0
  Ni  Ni4  1  0.5000  0.0000  0.0000  1.0
  O  O5  4  0.2558  0.2374  0.7906  1.0
  O  O6  2  0.2176  0.5000  0.2260  1.0
  O  O7  2  0.2496  0.0000  0.2083  1.0
]