# generated using pymatgen
data_SrCaMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38068607
_cell_length_b   5.38151907
_cell_length_c   7.76148600
_cell_angle_alpha   90.00022049
_cell_angle_beta   90.00029674
_cell_angle_gamma   89.98144125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaMn2O6
_chemical_formula_sum   'Sr2 Ca2 Mn4 O12'
_cell_volume   224.74363130
_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  0.50000000  0.00000000  0.25005200  1.0
  Sr  Sr1  1  0.00000000  0.50000000  0.75005900  1.0
  Ca  Ca2  1  0.00000000  0.50000000  0.24994000  1.0
  Ca  Ca3  1  0.50000000  0.00000000  0.74994800  1.0
  Mn  Mn4  1  0.00000200  0.00000200  0.50001000  1.0
  Mn  Mn5  1  0.49999900  0.50000100  0.50000200  1.0
  Mn  Mn6  1  0.50000100  0.49999800  0.00000800  1.0
  Mn  Mn7  1  0.00000000  0.99999900  0.99999500  1.0
  O  O8  1  0.50000000  0.49999900  0.25000300  1.0
  O  O9  1  0.00000000  0.99999900  0.75001300  1.0
  O  O10  1  0.99999900  0.00000100  0.25000000  1.0
  O  O11  1  0.49999900  0.50000100  0.75001600  1.0
  O  O12  1  0.20212800  0.29786000  0.48913700  1.0
  O  O13  1  0.70213200  0.79786300  0.98913500  1.0
  O  O14  1  0.79787200  0.70214000  0.48913700  1.0
  O  O15  1  0.29786700  0.20213700  0.98913500  1.0
  O  O16  1  0.79789800  0.29789400  0.01085200  1.0
  O  O17  1  0.29790200  0.79789200  0.51085100  1.0
  O  O18  1  0.20210100  0.70210600  0.01085300  1.0
  O  O19  1  0.70209800  0.20210800  0.51085200  1.0