# generated using pymatgen
data_Li11Mn12(BO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42435100
_cell_length_b   9.74213516
_cell_length_c   9.90262580
_cell_angle_alpha   115.31641425
_cell_angle_beta   110.39067555
_cell_angle_gamma   87.70075545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li11Mn12(BO3)12
_chemical_formula_sum   'Li11 Mn12 B12 O36'
_cell_volume   763.98853096
_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  0.97081200  0.96822600  0.67205400  1
  Li  Li1  1  0.69651600  0.03165700  0.66129100  1
  Li  Li2  1  0.63730000  0.46565000  0.50336800  1
  Li  Li3  1  0.71068800  0.53234600  0.16599600  1
  Li  Li4  1  0.63743000  0.96641500  0.00536700  1
  Li  Li5  1  0.30385300  0.46435700  0.83724700  1
  Li  Li6  1  0.36234500  0.03515300  0.99634700  1
  Li  Li7  1  0.36245400  0.53344700  0.49479700  1
  Li  Li8  1  0.30300100  0.96596900  0.33853900  1
  Li  Li9  1  0.03047500  0.03243600  0.32978600  1
  Li  Li10  1  0.03003400  0.53370700  0.82876500  1
  Mn  Mn11  1  0.87825000  0.20628600  0.56503900  1
  Mn  Mn12  1  0.79571800  0.29859800  0.26650900  1
  Mn  Mn13  1  0.78731600  0.79568800  0.77180900  1
  Mn  Mn14  1  0.88386200  0.69469000  0.06514700  1
  Mn  Mn15  1  0.54580400  0.20527800  0.89818000  1
  Mn  Mn16  1  0.45551000  0.29435900  0.60148200  1
  Mn  Mn17  1  0.54734500  0.70413700  0.39852100  1
  Mn  Mn18  1  0.45836100  0.79403500  0.10220000  1
  Mn  Mn19  1  0.11532400  0.30107200  0.94208300  1
  Mn  Mn20  1  0.20930500  0.20740400  0.23163600  1
  Mn  Mn21  1  0.21124200  0.70522000  0.73197600  1
  Mn  Mn22  1  0.11645900  0.78620800  0.43122800  1
  B  B23  1  0.88921400  0.12907200  0.97967400  1
  B  B24  1  0.77428300  0.36749300  0.84873900  1
  B  B25  1  0.88785900  0.63498000  0.48647100  1
  B  B26  1  0.77811300  0.86627500  0.35094100  1
  B  B27  1  0.55648100  0.13374000  0.31407000  1
  B  B28  1  0.55752700  0.63137000  0.81633500  1
  B  B29  1  0.44577100  0.36709500  0.18511200  1
  B  B30  1  0.44207300  0.86702600  0.68392500  1
  B  B31  1  0.22154400  0.13229200  0.64956800  1
  B  B32  1  0.11137900  0.36711100  0.51898500  1
  B  B33  1  0.22253900  0.63808300  0.14478500  1
  B  B34  1  0.11117400  0.86752600  0.02001400  1
  O  O35  1  0.87880400  0.01356500  0.83106400  1
  O  O36  1  0.99054900  0.24670800  0.42844600  1
  O  O37  1  0.98958700  0.74741000  0.93080000  1
  O  O38  1  0.89569900  0.36451000  0.79816200  1
  O  O39  1  0.76496500  0.48786400  0.98291700  1
  O  O40  1  0.88284300  0.52071200  0.34467900  1
  O  O41  1  0.65681100  0.24322500  0.75937100  1
  O  O42  1  0.89503300  0.86212100  0.29421700  1
  O  O43  1  0.77018300  0.13439400  0.03531500  1
  O  O44  1  0.77007900  0.64060500  0.54378300  1
  O  O45  1  0.67790100  0.25317300  0.40203200  1
  O  O46  1  0.68103000  0.75083400  0.90949800  1
  O  O47  1  0.78289000  0.98265200  0.49577300  1
  O  O48  1  0.55022400  0.01679100  0.16888500  1
  O  O49  1  0.55099000  0.51827500  0.66955900  1
  O  O50  1  0.65793000  0.74555000  0.26209000  1
  O  O51  1  0.56336900  0.36366800  0.12915100  1
  O  O52  1  0.55926200  0.86391300  0.62792100  1
  O  O53  1  0.43892000  0.13691600  0.37053700  1
  O  O54  1  0.43811500  0.63624300  0.86995600  1
  O  O55  1  0.34440300  0.25133100  0.73689300  1
  O  O56  1  0.45106300  0.48266900  0.33086500  1
  O  O57  1  0.44856600  0.98180500  0.83023800  1
  O  O58  1  0.21484400  0.01446900  0.50466800  1
  O  O59  1  0.32348300  0.24844900  0.09587800  1
  O  O60  1  0.32094300  0.74655700  0.59426700  1
  O  O61  1  0.23053200  0.36358000  0.46508800  1
  O  O62  1  0.22798300  0.86348100  0.96276000  1
  O  O63  1  0.10509700  0.14020000  0.70819600  1
  O  O64  1  0.34827600  0.75327600  0.23804700  1
  O  O65  1  0.11557000  0.48232800  0.66395200  1
  O  O66  1  0.21759900  0.51950600  0.00278400  1
  O  O67  1  0.10082700  0.65379700  0.19759700  1
  O  O68  1  0.01380100  0.24073400  0.06872000  1
  O  O69  1  0.00978200  0.75596700  0.57589000  1
  O  O70  1  0.11725400  0.98269600  0.16529700  1
