data_[Li5Mn6B6O18]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2676]
_cell_length_b [8.2957]
_cell_length_c [9.3490]
_cell_angle_alpha [103.6237]
_cell_angle_beta [105.7807]
_cell_angle_gamma [90.9586]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5Mn6(BO3)6]
_chemical_formula_sum '[Li5 Mn6 B6 O18]'
_cell_volume [380.6518]
_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  0.0007  0.6230  0.6947  1
  Li  Li1  1  0.3300  0.7046  0.9714  1
  Li  Li2  1  0.3323  0.9584  0.3605  1
  Li  Li3  1  0.6674  0.0417  0.6402  1
  Li  Li4  1  0.9814  0.3683  0.2905  1
  Mn  Mn5  1  0.1232  0.3566  0.8910  1
  Mn  Mn6  1  0.2274  0.9739  0.7889  1
  Mn  Mn7  1  0.4402  0.6929  0.5423  1
  Mn  Mn8  1  0.5494  0.3041  0.4502  1
  Mn  Mn9  1  0.7796  0.0297  0.2078  1
  Mn  Mn10  1  0.8757  0.6300  0.1157  1
  B  B11  1  0.1064  0.1834  0.5570  1
  B  B12  1  0.2296  0.1448  0.1114  1
  B  B13  1  0.4402  0.5184  0.2262  1
  B  B14  1  0.5648  0.4916  0.7779  1
  B  B15  1  0.7760  0.8483  0.8884  1
  B  B16  1  0.8897  0.8161  0.4412  1
  O  O17  1  0.0224  0.1558  0.6805  1
  O  O18  1  0.0295  0.8187  0.8823  1
  O  O19  1  0.0715  0.7698  0.5617  1
  O  O20  1  0.2599  0.5642  0.1043  1
  O  O21  1  0.3048  0.1706  0.9864  1
  O  O22  1  0.3096  0.5117  0.7861  1
  O  O23  1  0.3419  0.4824  0.3420  1
  O  O24  1  0.3593  0.1519  0.5496  1
  O  O25  1  0.4142  0.0956  0.2299  1
  O  O26  1  0.5953  0.8971  0.7700  1
  O  O27  1  0.6374  0.8480  0.4496  1
  O  O28  1  0.6389  0.5141  0.6495  1
  O  O29  1  0.6896  0.8189  0.0109  1
  O  O30  1  0.7006  0.5073  0.2348  1
  O  O31  1  0.7639  0.4593  0.8971  1
  O  O32  1  0.9260  0.2328  0.4384  1
  O  O33  1  0.9749  0.8426  0.3172  1
  O  O34  1  0.9813  0.1745  0.1220  1
]