data_[Li2Mn2B2O6]
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 [P-1]
_cell_length_a [5.1850]
_cell_length_b [5.2412]
_cell_length_c [6.0203]
_cell_angle_alpha [90.6707]
_cell_angle_beta [113.0443]
_cell_angle_gamma [119.1542]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMnBO3]
_chemical_formula_sum '[Li2 Mn2 B2 O6]'
_cell_volume [127.2389]
_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  0.4417  0.3744  0.6761  1.0
  Mn  Mn1  2  0.1591  0.7511  0.7614  1.0
  B  B2  2  0.1916  0.9236  0.2629  1.0
  O  O3  2  0.0349  0.3054  0.6748  1.0
  O  O4  2  0.2486  0.2111  0.2998  1.0
  O  O5  2  0.3732  0.8641  0.1720  1.0
]