# generated using pymatgen
data_Ca8Mn6Al2O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73650500
_cell_length_b   7.73650500
_cell_length_c   7.44200200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Mn6Al2O21
_chemical_formula_sum   'Ca8 Mn6 Al2 O21'
_cell_volume   445.42993826
_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  0.26232900  0.26232900  0.25000000  1.0
  Ca  Ca1  1  0.25163600  0.25163600  0.75000000  1.0
  Ca  Ca2  1  0.26232900  0.73767100  0.25000000  1.0
  Ca  Ca3  1  0.25163600  0.74836400  0.75000000  1.0
  Ca  Ca4  1  0.73767100  0.26232900  0.25000000  1.0
  Ca  Ca5  1  0.74836400  0.25163600  0.75000000  1.0
  Ca  Ca6  1  0.73767100  0.73767100  0.25000000  1.0
  Ca  Ca7  1  0.74836400  0.74836400  0.75000000  1.0
  Mn  Mn8  1  0.00000000  0.50000000  0.99724400  1.0
  Mn  Mn9  1  0.00000000  0.50000000  0.50275600  1.0
  Mn  Mn10  1  0.50000000  0.00000000  0.99724400  1.0
  Mn  Mn11  1  0.50000000  0.00000000  0.50275600  1.0
  Mn  Mn12  1  0.50000000  0.50000000  0.99845700  1.0
  Mn  Mn13  1  0.50000000  0.50000000  0.50154300  1.0
  Al  Al14  1  0.00000000  0.00000000  0.00357800  1.0
  Al  Al15  1  0.00000000  0.00000000  0.49642200  1.0
  O  O16  1  0.00000000  0.50000000  0.25000000  1.0
  O  O17  1  0.00000000  0.50000000  0.75000000  1.0
  O  O18  1  0.50000000  0.00000000  0.25000000  1.0
  O  O19  1  0.50000000  0.00000000  0.75000000  1.0
  O  O20  1  0.50000000  0.50000000  0.25000000  1.0
  O  O21  1  0.23479900  0.00000000  0.00008800  1.0
  O  O22  1  0.23479900  0.00000000  0.49991200  1.0
  O  O23  1  0.25557500  0.50000000  0.97742800  1.0
  O  O24  1  0.25557500  0.50000000  0.52257200  1.0
  O  O25  1  0.76520100  0.00000000  0.00008800  1.0
  O  O26  1  0.76520100  0.00000000  0.49991200  1.0
  O  O27  1  0.74442500  0.50000000  0.97742800  1.0
  O  O28  1  0.74442500  0.50000000  0.52257200  1.0
  O  O29  1  0.00000000  0.23479900  0.00008800  1.0
  O  O30  1  0.00000000  0.23479900  0.49991200  1.0
  O  O31  1  0.00000000  0.76520100  0.00008800  1.0
  O  O32  1  0.00000000  0.76520100  0.49991200  1.0
  O  O33  1  0.50000000  0.25557500  0.97742800  1.0
  O  O34  1  0.50000000  0.25557500  0.52257200  1.0
  O  O35  1  0.50000000  0.74442500  0.97742800  1.0
  O  O36  1  0.50000000  0.74442500  0.52257200  1.0