# generated using pymatgen
data_Ca2Mn9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43810899
_cell_length_b   5.43810899
_cell_length_c   17.17977876
_cell_angle_alpha   81.35035052
_cell_angle_beta   81.35035052
_cell_angle_gamma   33.81424450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mn9O13
_chemical_formula_sum   'Ca2 Mn9 O13'
_cell_volume   279.22076440
_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
  Ca  Ca0  1  0.77093600  0.77093600  0.23047700  1.0
  Ca  Ca1  1  0.22906400  0.22906400  0.76952300  1.0
  Mn  Mn2  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn3  1  0.34709100  0.34709100  0.04005900  1.0
  Mn  Mn4  1  0.65290900  0.65290900  0.95994100  1.0
  Mn  Mn5  1  0.24160500  0.24160500  0.41967300  1.0
  Mn  Mn6  1  0.75839500  0.75839500  0.58032700  1.0
  Mn  Mn7  1  0.05322400  0.05322400  0.12303700  1.0
  Mn  Mn8  1  0.94677600  0.94677600  0.87696300  1.0
  Mn  Mn9  1  0.00030300  0.00030300  0.33255900  1.0
  Mn  Mn10  1  0.99969700  0.99969700  0.66744100  1.0
  O  O11  1  0.00000000  0.00000000  0.00000000  1.0
  O  O12  1  0.11556000  0.11556000  0.22650300  1.0
  O  O13  1  0.88444000  0.88444000  0.77349700  1.0
  O  O14  1  0.69915700  0.69915700  0.06729400  1.0
  O  O15  1  0.30084300  0.30084300  0.93270600  1.0
  O  O16  1  0.40741200  0.40741200  0.14100700  1.0
  O  O17  1  0.59258800  0.59258800  0.85899300  1.0
  O  O18  1  0.36128800  0.36128800  0.32093700  1.0
  O  O19  1  0.63871200  0.63871200  0.67906300  1.0
  O  O20  1  0.61634500  0.61634500  0.38639300  1.0
  O  O21  1  0.38365500  0.38365500  0.61360700  1.0
  O  O22  1  0.85830600  0.85830600  0.46933200  1.0
  O  O23  1  0.14169400  0.14169400  0.53066800  1.0