data_[Li6Mn6B8O24]
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 [Pc]
_cell_length_a [5.3465]
_cell_length_b [9.0777]
_cell_length_c [10.7998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li3Mn3(BO3)4]
_chemical_formula_sum '[Li6 Mn6 B8 O24]'
_cell_volume [466.3586]
_cell_formula_units_Z [2]
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  0.4605  0.4286  0.6242  1
  Li  Li1  2  0.4854  0.2351  0.8383  1
  Li  Li2  2  0.5550  0.0938  0.3712  1
  Mn  Mn3  2  0.0122  0.4221  0.8752  1
  Mn  Mn4  2  0.0564  0.2434  0.3825  1
  Mn  Mn5  2  0.9860  0.0522  0.1227  1
  B  B6  2  0.0386  0.0962  0.8731  1
  B  B7  2  0.4395  0.0667  0.6067  1
  B  B8  2  0.5535  0.4263  0.3798  1
  B  B9  2  0.9807  0.4130  0.1441  1
  O  O10  2  0.1227  0.0362  0.3308  1
  O  O11  2  0.1336  0.4280  0.0711  1
  O  O12  2  0.1593  0.2216  0.8626  1
  O  O13  2  0.2705  0.1931  0.5798  1
  O  O14  2  0.3257  0.4211  0.4125  1
  O  O15  2  0.3727  0.0572  0.1595  1
  O  O16  2  0.6150  0.4352  0.8441  1
  O  O17  2  0.6673  0.0687  0.5821  1
  O  O18  2  0.6969  0.3013  0.3837  1
  O  O19  2  0.8335  0.0851  0.9193  1
  O  O20  2  0.8772  0.4643  0.6814  1
  O  O21  2  0.9370  0.2725  0.1845  1
]