data_[Li4Mn6B6O18]
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 [8.2354]
_cell_length_b [6.3483]
_cell_length_c [8.2918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2Mn3(BO3)3]
_chemical_formula_sum '[Li4 Mn6 B6 O18]'
_cell_volume [376.9350]
_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  1  0.0233  0.0000  0.7242  1
  Li  Li1  1  0.2763  0.5000  0.2995  1
  Li  Li2  1  0.6972  0.5000  0.9805  1
  Li  Li3  1  0.6979  0.0000  0.9777  1
  Mn  Mn4  2  0.3626  0.2486  0.0126  1
  Mn  Mn5  2  0.6417  0.2496  0.6206  1
  Mn  Mn6  2  0.9979  0.2507  0.3699  1
  B  B7  2  0.9917  0.2506  0.9996  1
  B  B8  1  0.3363  0.5000  0.6649  1
  B  B9  1  0.3436  0.0000  0.6761  1
  B  B10  1  0.6586  0.5000  0.3271  1
  B  B11  1  0.6788  0.0000  0.3325  1
  O  O12  2  0.0817  0.2328  0.8981  1
  O  O13  2  0.0945  0.2690  0.1907  1
  O  O14  2  0.7966  0.2501  0.9110  1
  O  O15  1  0.1449  0.5000  0.5410  1
  O  O16  1  0.1507  0.0000  0.5622  1
  O  O17  1  0.4096  0.5000  0.8545  1
  O  O18  1  0.4156  0.0000  0.8673  1
  O  O19  1  0.4522  0.5000  0.5868  1
  O  O20  1  0.4637  0.5000  0.2128  1
  O  O21  1  0.4667  0.0000  0.6085  1
  O  O22  1  0.4907  0.0000  0.2184  1
  O  O23  1  0.7341  0.5000  0.5176  1
  O  O24  1  0.7565  0.0000  0.5261  1
  O  O25  1  0.7754  0.5000  0.2509  1
  O  O26  1  0.8008  0.0000  0.2584  1
]