# generated using pymatgen
data_Ca8Mn4Al4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61651700
_cell_length_b   7.61651700
_cell_length_c   7.49037600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Mn4Al4O21
_chemical_formula_sum   'Ca8 Mn4 Al4 O21'
_cell_volume   434.52668303
_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  0.25633800  0.25633800  0.25000000  1.0
  Ca  Ca1  1  0.26212500  0.26212500  0.75000000  1.0
  Ca  Ca2  1  0.25633800  0.74366200  0.25000000  1.0
  Ca  Ca3  1  0.26212500  0.73787500  0.75000000  1.0
  Ca  Ca4  1  0.74366200  0.25633800  0.25000000  1.0
  Ca  Ca5  1  0.73787500  0.26212500  0.75000000  1.0
  Ca  Ca6  1  0.74366200  0.74366200  0.25000000  1.0
  Ca  Ca7  1  0.73787500  0.73787500  0.75000000  1.0
  Mn  Mn8  1  0.00000000  0.50000000  0.00419400  1.0
  Mn  Mn9  1  0.00000000  0.50000000  0.49580600  1.0
  Mn  Mn10  1  0.50000000  0.00000000  0.00419400  1.0
  Mn  Mn11  1  0.50000000  0.00000000  0.49580600  1.0
  Al  Al12  1  0.00000000  0.00000000  0.99766000  1.0
  Al  Al13  1  0.00000000  0.00000000  0.50234000  1.0
  Al  Al14  1  0.50000000  0.50000000  0.98372100  1.0
  Al  Al15  1  0.50000000  0.50000000  0.51627900  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  0.75000000  1.0
  O  O21  1  0.23685600  0.00000000  0.99969500  1.0
  O  O22  1  0.23685600  0.00000000  0.50030500  1.0
  O  O23  1  0.25963100  0.50000000  0.02034800  1.0
  O  O24  1  0.25963100  0.50000000  0.47965200  1.0
  O  O25  1  0.76314400  0.00000000  0.99969500  1.0
  O  O26  1  0.76314400  0.00000000  0.50030500  1.0
  O  O27  1  0.74036900  0.50000000  0.02034800  1.0
  O  O28  1  0.74036900  0.50000000  0.47965200  1.0
  O  O29  1  0.00000000  0.23685600  0.99969500  1.0
  O  O30  1  0.00000000  0.23685600  0.50030500  1.0
  O  O31  1  0.00000000  0.76314400  0.99969500  1.0
  O  O32  1  0.00000000  0.76314400  0.50030500  1.0
  O  O33  1  0.50000000  0.25963100  0.02034800  1.0
  O  O34  1  0.50000000  0.25963100  0.47965200  1.0
  O  O35  1  0.50000000  0.74036900  0.02034800  1.0
  O  O36  1  0.50000000  0.74036900  0.47965200  1.0