data_[Li5Mn2Co1O8]
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
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0317]
_cell_length_b [3.0155]
_cell_length_c [9.8212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li5Mn2CoO8]
_chemical_formula_sum '[Li5 Mn2 Co1 O8]'
_cell_volume [145.4712]
_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  0.2390  0.0000  0.7322  1
  Li  Li1  2  0.2505  0.5000  0.2649  1
  Li  Li2  1  0.0000  0.5000  0.5000  1
  Mn  Mn3  1  0.0000  0.0000  0.0000  1
  Mn  Mn4  1  0.5000  0.5000  0.0000  1
  Co  Co5  1  0.5000  0.0000  0.5000  1
  O  O6  2  0.1392  0.5000  0.8816  1
  O  O7  2  0.1663  0.0000  0.3881  1
  O  O8  2  0.3633  0.0000  0.1134  1
  O  O9  2  0.3872  0.5000  0.6106  1
]