# generated using pymatgen
data_Ca3OsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53133676
_cell_length_b   6.53133591
_cell_length_c   6.53133641
_cell_angle_alpha   91.85114238
_cell_angle_beta   91.85114775
_cell_angle_gamma   91.85115027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3OsO6
_chemical_formula_sum   'Ca6 Os2 O12'
_cell_volume   278.17021756
_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
  Ca  Ca0  1  0.93200598  0.43436183  0.74517600  1.0
  Ca  Ca1  1  0.74517600  0.93200598  0.43436183  1.0
  Ca  Ca2  1  0.56563817  0.25482400  0.06799402  1.0
  Ca  Ca3  1  0.43436183  0.74517600  0.93200598  1.0
  Ca  Ca4  1  0.25482400  0.06799402  0.56563817  1.0
  Ca  Ca5  1  0.06799402  0.56563817  0.25482400  1.0
  Os  Os6  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.93741564  0.28177223  0.06951224  1.0
  O  O9  1  0.93048776  0.06258436  0.71822777  1.0
  O  O10  1  0.78326904  0.57837560  0.45289899  1.0
  O  O11  1  0.71822777  0.93048776  0.06258436  1.0
  O  O12  1  0.57837560  0.45289899  0.78326904  1.0
  O  O13  1  0.54710101  0.21673096  0.42162440  1.0
  O  O14  1  0.45289899  0.78326904  0.57837560  1.0
  O  O15  1  0.42162440  0.54710101  0.21673096  1.0
  O  O16  1  0.28177223  0.06951224  0.93741564  1.0
  O  O17  1  0.21673096  0.42162440  0.54710101  1.0
  O  O18  1  0.06951224  0.93741564  0.28177223  1.0
  O  O19  1  0.06258436  0.71822777  0.93048776  1.0