# generated using pymatgen data_Mg30TiCrO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53256900 _cell_length_b 8.53256900 _cell_length_c 8.57898900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg30TiCrO32 _chemical_formula_sum 'Mg30 Ti1 Cr1 O32' _cell_volume 624.59100990 _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 0.00000000 0.50000000 0.00000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.50000000 1.0 Mg Mg2 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg4 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg6 1 0.00000000 0.25121300 0.24948000 1.0 Mg Mg7 1 0.00000000 0.25121300 0.75052000 1.0 Mg Mg8 1 0.00000000 0.74878700 0.24948000 1.0 Mg Mg9 1 0.00000000 0.74878700 0.75052000 1.0 Mg Mg10 1 0.50000000 0.25004000 0.24969000 1.0 Mg Mg11 1 0.50000000 0.25004000 0.75031000 1.0 Mg Mg12 1 0.50000000 0.74996000 0.24969000 1.0 Mg Mg13 1 0.50000000 0.74996000 0.75031000 1.0 Mg Mg14 1 0.25121300 0.00000000 0.24948000 1.0 Mg Mg15 1 0.25121300 0.00000000 0.75052000 1.0 Mg Mg16 1 0.25004000 0.50000000 0.24969000 1.0 Mg Mg17 1 0.25004000 0.50000000 0.75031000 1.0 Mg Mg18 1 0.74878700 0.00000000 0.24948000 1.0 Mg Mg19 1 0.74878700 0.00000000 0.75052000 1.0 Mg Mg20 1 0.74996000 0.50000000 0.24969000 1.0 Mg Mg21 1 0.74996000 0.50000000 0.75031000 1.0 Mg Mg22 1 0.25020500 0.25020500 0.00000000 1.0 Mg Mg23 1 0.25075900 0.25075900 0.50000000 1.0 Mg Mg24 1 0.25020500 0.74979500 0.00000000 1.0 Mg Mg25 1 0.25075900 0.74924100 0.50000000 1.0 Mg Mg26 1 0.74979500 0.25020500 0.00000000 1.0 Mg Mg27 1 0.74924100 0.25075900 0.50000000 1.0 Mg Mg28 1 0.74979500 0.74979500 0.00000000 1.0 Mg Mg29 1 0.74924100 0.74924100 0.50000000 1.0 Ti Ti30 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr31 1 0.00000000 0.00000000 0.50000000 1.0 O O32 1 0.25729600 0.00000000 0.00000000 1.0 O O33 1 0.25239900 0.00000000 0.50000000 1.0 O O34 1 0.25085000 0.50000000 0.00000000 1.0 O O35 1 0.25019200 0.50000000 0.50000000 1.0 O O36 1 0.74270400 0.00000000 0.00000000 1.0 O O37 1 0.74760100 0.00000000 0.50000000 1.0 O O38 1 0.74915000 0.50000000 0.00000000 1.0 O O39 1 0.74980800 0.50000000 0.50000000 1.0 O O40 1 0.24952700 0.24952700 0.25027600 1.0 O O41 1 0.24952700 0.24952700 0.74972400 1.0 O O42 1 0.24952700 0.75047300 0.25027600 1.0 O O43 1 0.24952700 0.75047300 0.74972400 1.0 O O44 1 0.75047300 0.24952700 0.25027600 1.0 O O45 1 0.75047300 0.24952700 0.74972400 1.0 O O46 1 0.75047300 0.75047300 0.25027600 1.0 O O47 1 0.75047300 0.75047300 0.74972400 1.0 O O48 1 0.00000000 0.00000000 0.24018500 1.0 O O49 1 0.00000000 0.00000000 0.75981500 1.0 O O50 1 0.00000000 0.50000000 0.25081800 1.0 O O51 1 0.00000000 0.50000000 0.74918200 1.0 O O52 1 0.50000000 0.00000000 0.25081800 1.0 O O53 1 0.50000000 0.00000000 0.74918200 1.0 O O54 1 0.50000000 0.50000000 0.25027800 1.0 O O55 1 0.50000000 0.50000000 0.74972200 1.0 O O56 1 0.00000000 0.25729600 0.00000000 1.0 O O57 1 0.00000000 0.25239900 0.50000000 1.0 O O58 1 0.00000000 0.74270400 0.00000000 1.0 O O59 1 0.00000000 0.74760100 0.50000000 1.0 O O60 1 0.50000000 0.25085000 0.00000000 1.0 O O61 1 0.50000000 0.25019200 0.50000000 1.0 O O62 1 0.50000000 0.74915000 0.00000000 1.0 O O63 1 0.50000000 0.74980800 0.50000000 1.0