# generated using pymatgen
data_Mn3BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11177066
_cell_length_b   9.44145341
_cell_length_c   12.65211280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3BO5
_chemical_formula_sum   'Mn12 B4 O20'
_cell_volume   371.71449032
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.50000000  0.00850857  0.27915729  1.0
  Mn  Mn1  1  0.50000000  0.99149143  0.72084271  1.0
  Mn  Mn2  1  0.50000000  0.50850857  0.22084271  1.0
  Mn  Mn3  1  0.50000000  0.49149143  0.77915729  1.0
  Mn  Mn4  1  0.50000000  -0.00000000  -0.00000000  1.0
  Mn  Mn5  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn6  1  0.00000000  0.50000000  -0.00000000  1.0
  Mn  Mn7  1  0.00000000  -0.00000000  0.50000000  1.0
  Mn  Mn8  1  0.00000000  0.24060756  0.11773822  1.0
  Mn  Mn9  1  0.00000000  0.75939244  0.88226178  1.0
  Mn  Mn10  1  0.00000000  0.74060756  0.38226178  1.0
  Mn  Mn11  1  0.00000000  0.25939244  0.61773822  1.0
  B  B12  1  0.00000000  0.28231726  0.35873766  1.0
  B  B13  1  0.00000000  0.71768274  0.64126234  1.0
  B  B14  1  0.00000000  0.78231726  0.14126234  1.0
  B  B15  1  0.00000000  0.21768274  0.85873766  1.0
  O  O16  1  0.00000000  0.14558809  0.95418426  1.0
  O  O17  1  0.00000000  0.85441191  0.04581574  1.0
  O  O18  1  0.00000000  0.64558809  0.54581574  1.0
  O  O19  1  0.00000000  0.35441191  0.45418426  1.0
  O  O20  1  0.50000000  0.10020154  0.13613820  1.0
  O  O21  1  0.50000000  0.89979846  0.86386180  1.0
  O  O22  1  0.50000000  0.60020154  0.36386180  1.0
  O  O23  1  0.50000000  0.39979846  0.63613820  1.0
  O  O24  1  -0.00000000  0.13570153  0.35545704  1.0
  O  O25  1  0.00000000  0.86429847  0.64454296  1.0
  O  O26  1  0.00000000  0.63570153  0.14454296  1.0
  O  O27  1  0.00000000  0.36429847  0.85545704  1.0
  O  O28  1  0.50000000  0.39053493  0.07811552  1.0
  O  O29  1  0.50000000  0.60946507  0.92188448  1.0
  O  O30  1  0.50000000  0.89053493  0.42188448  1.0
  O  O31  1  0.50000000  0.10946507  0.57811552  1.0
  O  O32  1  0.00000000  0.35671399  0.26474784  1.0
  O  O33  1  0.00000000  0.64328601  0.73525216  1.0
  O  O34  1  -0.00000000  0.85671399  0.23525216  1.0
  O  O35  1  0.00000000  0.14328601  0.76474784  1.0