data_[Li16Mn8Cr8O32]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0348]
_cell_length_b [10.2408]
_cell_length_c [10.2486]
_cell_angle_alpha [107.6321]
_cell_angle_beta [91.2388]
_cell_angle_gamma [91.9578]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MnCrO4]
_chemical_formula_sum '[Li16 Mn8 Cr8 O32]'
_cell_volume [602.9197]
_cell_formula_units_Z [8]
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  0.0020  0.7511  0.2496  1
  Li  Li1  2  0.0086  0.2490  0.2485  1
  Li  Li2  2  0.2447  0.0019  0.2504  1
  Li  Li3  2  0.2485  0.4983  0.7506  1
  Li  Li4  2  0.2536  0.2496  0.4968  1
  Li  Li5  2  0.2556  0.7489  0.9970  1
  Li  Li6  2  0.4947  0.2497  0.2501  1
  Li  Li7  2  0.4960  0.2508  0.7496  1
  Mn  Mn8  2  0.2402  0.2501  0.9988  1
  Mn  Mn9  2  0.2498  0.7494  0.4995  1
  Mn  Mn10  1  0.0000  0.0000  0.0000  1
  Mn  Mn11  1  0.0000  0.5000  0.5000  1
  Mn  Mn12  1  0.5000  0.0000  0.0000  1
  Mn  Mn13  1  0.5000  0.5000  0.0000  1
  Cr  Cr14  2  0.2532  0.9968  0.7492  1
  Cr  Cr15  2  0.2535  0.4989  0.2493  1
  Cr  Cr16  1  0.0000  0.0000  0.5000  1
  Cr  Cr17  1  0.0000  0.5000  0.0000  1
  Cr  Cr18  1  0.5000  0.0000  0.5000  1
  Cr  Cr19  1  0.5000  0.5000  0.5000  1
  O  O20  2  0.0024  0.3859  0.1291  1
  O  O21  2  0.0039  0.8833  0.6272  1
  O  O22  2  0.0243  0.1135  0.8725  1
  O  O23  2  0.0292  0.6181  0.3762  1
  O  O24  2  0.2233  0.3705  0.8854  1
  O  O25  2  0.2273  0.1284  0.1137  1
  O  O26  2  0.2405  0.8794  0.3909  1
  O  O27  2  0.2523  0.6153  0.6054  1
  O  O28  2  0.2597  0.1103  0.6166  1
  O  O29  2  0.2607  0.6116  0.1145  1
  O  O30  2  0.2617  0.3807  0.3735  1
  O  O31  2  0.2705  0.8809  0.8772  1
  O  O32  2  0.4734  0.8779  0.6223  1
  O  O33  2  0.4745  0.3824  0.1200  1
  O  O34  2  0.4968  0.1143  0.8748  1
  O  O35  2  0.4992  0.6161  0.3714  1
]