# generated using pymatgen
data_Mn6HO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39553602
_cell_length_b   5.39553602
_cell_length_c   13.64714289
_cell_angle_alpha   87.64468074
_cell_angle_beta   87.64468074
_cell_angle_gamma   64.62545723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn6HO12
_chemical_formula_sum   'Mn12 H2 O24'
_cell_volume   358.53983750
_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
  Mn  Mn0  1  0.74601440  0.49864848  0.50239415  1.0
  Mn  Mn1  1  0.25176507  0.99904735  0.50081934  1.0
  Mn  Mn2  1  0.48032278  0.23107874  0.15593762  1.0
  Mn  Mn3  1  0.98811949  0.73809700  0.15976746  1.0
  Mn  Mn4  1  0.51894803  0.25724709  0.84470944  1.0
  Mn  Mn5  1  0.00808824  0.76928875  0.84483075  1.0
  Mn  Mn6  1  0.49864848  0.74601440  0.00239415  1.0
  Mn  Mn7  1  0.99904735  0.25176507  0.00081934  1.0
  Mn  Mn8  1  0.73809700  0.98811949  0.65976746  1.0
  Mn  Mn9  1  0.23107874  0.48032278  0.65593762  1.0
  Mn  Mn10  1  0.76928875  0.00808824  0.34483075  1.0
  Mn  Mn11  1  0.25724709  0.51894803  0.34470944  1.0
  H  H12  1  0.71628770  0.47455286  0.25683407  1.0
  H  H13  1  0.47455286  0.71628770  0.75683407  1.0
  O  O14  1  0.66646100  0.41235535  0.93374644  1.0
  O  O15  1  0.16320443  0.91637776  0.93424015  1.0
  O  O16  1  0.33300437  0.08377973  0.06887122  1.0
  O  O17  1  0.83493482  0.58464065  0.06923854  1.0
  O  O18  1  0.41235535  0.66646100  0.43374644  1.0
  O  O19  1  0.91637776  0.16320443  0.43424015  1.0
  O  O20  1  0.58464065  0.83493482  0.56923854  1.0
  O  O21  1  0.08377973  0.33300437  0.56887122  1.0
  O  O22  1  0.16549662  0.41540670  0.90476399  1.0
  O  O23  1  0.66155018  0.91086731  0.90460523  1.0
  O  O24  1  0.33523523  0.58161983  0.09731684  1.0
  O  O25  1  0.83382365  0.08771924  0.09632221  1.0
  O  O26  1  0.41540670  0.16549662  0.40476399  1.0
  O  O27  1  0.91086731  0.66155018  0.40460523  1.0
  O  O28  1  0.58161983  0.33523523  0.59731684  1.0
  O  O29  1  0.08771924  0.83382365  0.59632221  1.0
  O  O30  1  0.36431215  0.61306355  0.76866081  1.0
  O  O31  1  0.85696442  0.10730358  0.77155505  1.0
  O  O32  1  0.14167408  0.39563581  0.23238899  1.0
  O  O33  1  0.64632307  0.89189247  0.23295372  1.0
  O  O34  1  0.61306355  0.36431215  0.26866081  1.0
  O  O35  1  0.10730358  0.85696442  0.27155505  1.0
  O  O36  1  0.39563581  0.14167408  0.73238899  1.0
  O  O37  1  0.89189247  0.64632307  0.73295372  1.0