# generated using pymatgen
data_Sr3CaMn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41053586
_cell_length_b   5.40995180
_cell_length_c   13.02258757
_cell_angle_alpha   77.99585313
_cell_angle_beta   77.99583412
_cell_angle_gamma   89.97614140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3CaMn2O8
_chemical_formula_sum   'Sr6 Ca2 Mn4 O16'
_cell_volume   364.32631050
_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
  Sr  Sr0  1  0.17830600  0.17826000  0.64398200  1.0
  Sr  Sr1  1  0.67822000  0.67825800  0.64399100  1.0
  Sr  Sr2  1  0.32447300  0.32445100  0.35072600  1.0
  Sr  Sr3  1  0.82443000  0.82445200  0.35071700  1.0
  Sr  Sr4  1  0.07082900  0.57081400  0.85810000  1.0
  Sr  Sr5  1  0.57082000  0.07080500  0.85808400  1.0
  Ca  Ca6  1  0.42922200  0.92918200  0.14228600  1.0
  Ca  Ca7  1  0.92921000  0.42922800  0.14230500  1.0
  Mn  Mn8  1  0.49789100  0.49781100  0.00447100  1.0
  Mn  Mn9  1  0.99776000  0.99777200  0.00438700  1.0
  Mn  Mn10  1  0.25180800  0.75196500  0.49616700  1.0
  Mn  Mn11  1  0.75191800  0.25195700  0.49617800  1.0
  O  O12  1  0.33200500  0.83200600  0.33608400  1.0
  O  O13  1  0.83205600  0.33204000  0.33607800  1.0
  O  O14  1  0.07719200  0.07718400  0.84554500  1.0
  O  O15  1  0.57719600  0.57720400  0.84552300  1.0
  O  O16  1  0.42061700  0.42061300  0.15846900  1.0
  O  O17  1  0.92056200  0.92058200  0.15849500  1.0
  O  O18  1  0.17227100  0.67229900  0.65536500  1.0
  O  O19  1  0.67232500  0.17231300  0.65536400  1.0
  O  O20  1  0.24637600  0.24629700  0.00718000  1.0
  O  O21  1  0.74636700  0.74633100  0.00717300  1.0
  O  O22  1  0.74630200  0.24628900  0.00719600  1.0
  O  O23  1  0.24628500  0.74629300  0.00720700  1.0
  O  O24  1  0.50141100  0.00137300  0.49724100  1.0
  O  O25  1  0.00142200  0.50142500  0.49722900  1.0
  O  O26  1  0.00137300  0.00137400  0.49722700  1.0
  O  O27  1  0.50136000  0.50142700  0.49722800  1.0