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 [Pm]
_cell_length_a [8.2344]
_cell_length_b [6.3735]
_cell_length_c [8.2514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li5Mn6(BO3)6]
_chemical_formula_sum '[Li5 Mn6 B6 O18]'
_cell_volume [377.6182]
_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  0.3001  0.5000  0.0168  1
  Li  Li1  1  0.3014  0.0000  0.0215  1
  Li  Li2  1  0.7220  0.5000  0.7022  1
  Li  Li3  1  0.9806  0.0000  0.2818  1
  Li  Li4  1  0.9837  0.5000  0.2833  1
  Mn  Mn5  2  0.0004  0.2480  0.6382  1
  Mn  Mn6  2  0.3685  0.2477  0.3817  1
  Mn  Mn7  2  0.6326  0.2469  0.9780  1
  B  B8  2  0.0073  0.2561  0.0077  1
  B  B9  1  0.3246  0.0000  0.6672  1
  B  B10  1  0.3321  0.5000  0.6654  1
  B  B11  1  0.6609  0.0000  0.3230  1
  B  B12  1  0.6665  0.5000  0.3281  1
  O  O13  2  0.2018  0.2507  0.0912  1
  O  O14  2  0.8985  0.2701  0.8183  1
  O  O15  2  0.9237  0.2510  0.1203  1
  O  O16  1  0.2068  0.0000  0.7445  1
  O  O17  1  0.2176  0.5000  0.7439  1
  O  O18  1  0.2484  0.0000  0.4732  1
  O  O19  1  0.2555  0.5000  0.4714  1
  O  O20  1  0.5146  0.0000  0.7782  1
  O  O21  1  0.5257  0.5000  0.7753  1
  O  O22  1  0.5379  0.0000  0.3922  1
  O  O23  1  0.5575  0.5000  0.4152  1
  O  O24  1  0.5843  0.5000  0.1362  1
  O  O25  1  0.5870  0.0000  0.1314  1
  O  O26  1  0.8520  0.0000  0.4388  1
  O  O27  1  0.8591  0.5000  0.4394  1
]