# generated using pymatgen data_Ca2FeOsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58241200 _cell_length_b 5.44968900 _cell_length_c 9.48637089 _cell_angle_alpha 54.96414945 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2FeOsO6 _chemical_formula_sum 'Ca4 Fe2 Os2 O12' _cell_volume 236.30223078 _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 0.45007200 0.76203200 0.74895800 1.0 Ca Ca1 1 0.04992800 0.76203200 0.24895800 1.0 Ca Ca2 1 0.54992800 0.23796800 0.25104200 1.0 Ca Ca3 1 0.95007200 0.23796800 0.75104200 1.0 Fe Fe4 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe5 1 0.50000000 0.00000000 0.00000000 1.0 Os Os6 1 0.50000000 0.50000000 0.50000000 1.0 Os Os7 1 0.00000000 0.50000000 0.00000000 1.0 O O8 1 0.70204200 0.16111700 0.54480900 1.0 O O9 1 0.79795800 0.16111700 0.04480900 1.0 O O10 1 0.29795800 0.83888300 0.45519100 1.0 O O11 1 0.20204200 0.83888300 0.95519100 1.0 O O12 1 0.70774700 0.74545600 0.95254300 1.0 O O13 1 0.79225300 0.74545600 0.45254300 1.0 O O14 1 0.29225300 0.25454400 0.04745700 1.0 O O15 1 0.20774700 0.25454400 0.54745700 1.0 O O16 1 0.52606500 0.34052200 0.74745000 1.0 O O17 1 0.97393500 0.34052200 0.24745000 1.0 O O18 1 0.47393500 0.65947800 0.25255000 1.0 O O19 1 0.02606500 0.65947800 0.75255000 1.0