data_[Li3Mn3Ni1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  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 [5.7751]
_cell_length_b [5.8852]
_cell_length_c [5.9333]
_cell_angle_alpha [119.4614]
_cell_angle_beta [118.8643]
_cell_angle_gamma [90.2553]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Mn3NiO8]
_chemical_formula_sum '[Li3 Mn3 Ni1 O8]'
_cell_volume [145.8259]
_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  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.5000  0.0000  1.0
  Li  Li2  1  0.5000  0.5000  0.0000  1.0
  Mn  Mn3  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn4  1  0.5000  0.0000  0.0000  1.0
  Mn  Mn5  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni6  1  0.0000  0.0000  0.0000  1.0
  O  O7  2  0.2361  0.7412  0.9477  1.0
  O  O8  2  0.2370  0.7090  0.4785  1.0
  O  O9  2  0.2437  0.2766  0.4953  1.0
  O  O10  2  0.2834  0.2580  0.0431  1.0
]