# generated using pymatgen data_Mg14CrCO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45411242 _cell_length_b 8.73737519 _cell_length_c 4.20850290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14CrCO16 _chemical_formula_sum 'Mg14 Cr1 C1 O16' _cell_volume 310.86844048 _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 Mg Mg0 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.00000000 0.25724651 0.50000000 1.0 Mg Mg3 1 0.00000000 0.74275349 0.50000000 1.0 Mg Mg4 1 0.50000000 0.25156744 0.50000000 1.0 Mg Mg5 1 0.50000000 0.74843256 0.50000000 1.0 Mg Mg6 1 0.25072740 0.00000000 0.50000000 1.0 Mg Mg7 1 0.24591025 0.50000000 0.50000000 1.0 Mg Mg8 1 0.74927260 0.00000000 0.50000000 1.0 Mg Mg9 1 0.75408975 0.50000000 0.50000000 1.0 Mg Mg10 1 0.24572048 0.25547799 0.00000000 1.0 Mg Mg11 1 0.24572048 0.74452201 0.00000000 1.0 Mg Mg12 1 0.75427952 0.25547799 0.00000000 1.0 Mg Mg13 1 0.75427952 0.74452201 0.00000000 1.0 Cr Cr14 1 0.00000000 0.00000000 0.00000000 1.0 C C15 1 0.00000000 0.50000000 0.00000000 1.0 O O16 1 0.24656109 0.00000000 0.00000000 1.0 O O17 1 0.25529660 0.50000000 0.00000000 1.0 O O18 1 0.75343891 0.00000000 0.00000000 1.0 O O19 1 0.74470340 0.50000000 0.00000000 1.0 O O20 1 0.24849484 0.25046655 0.50000000 1.0 O O21 1 0.24849484 0.74953345 0.50000000 1.0 O O22 1 0.75150516 0.25046655 0.50000000 1.0 O O23 1 0.75150516 0.74953345 0.50000000 1.0 O O24 1 0.00000000 0.00000000 0.50000000 1.0 O O25 1 0.00000000 0.50000000 0.50000000 1.0 O O26 1 0.50000000 0.00000000 0.50000000 1.0 O O27 1 0.50000000 0.50000000 0.50000000 1.0 O O28 1 0.00000000 0.22515561 0.00000000 1.0 O O29 1 0.00000000 0.77484439 0.00000000 1.0 O O30 1 0.50000000 0.24760433 0.00000000 1.0 O O31 1 0.50000000 0.75239567 0.00000000 1.0