# generated using pymatgen data_Mg2Cr2(SiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.12495973 _cell_length_b 10.12495973 _cell_length_c 10.12495973 _cell_angle_alpha 109.49628311 _cell_angle_beta 109.49628311 _cell_angle_gamma 109.42110730 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Cr2(SiO4)3 _chemical_formula_sum 'Mg8 Cr8 Si12 O48' _cell_volume 799.02022755 _cell_formula_units_Z 4 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 0.74681400 0.37500000 0.87181400 1.0 Mg Mg1 1 0.62500000 0.99681400 0.87181400 1.0 Mg Mg2 1 0.12500000 0.75318600 0.12818600 1.0 Mg Mg3 1 0.50318600 0.87500000 0.12818600 1.0 Mg Mg4 1 0.00318600 0.87500000 0.62818600 1.0 Mg Mg5 1 0.12500000 0.25318600 0.62818600 1.0 Mg Mg6 1 0.62500000 0.49681400 0.37181400 1.0 Mg Mg7 1 0.24681400 0.37500000 0.37181400 1.0 Cr Cr8 1 0.87500000 0.62500000 0.25000000 1.0 Cr Cr9 1 0.37500000 0.12500000 0.75000000 1.0 Cr Cr10 1 0.87500000 0.12500000 0.25000000 1.0 Cr Cr11 1 0.37500000 0.62500000 0.75000000 1.0 Cr Cr12 1 0.37500000 0.12500000 0.25000000 1.0 Cr Cr13 1 0.87500000 0.12500000 0.75000000 1.0 Cr Cr14 1 0.87500000 0.62500000 0.75000000 1.0 Cr Cr15 1 0.37500000 0.62500000 0.25000000 1.0 Si Si16 1 0.25008100 0.87500000 0.87508100 1.0 Si Si17 1 0.12500000 0.00008100 0.37508100 1.0 Si Si18 1 0.50000000 0.50000000 0.00000000 1.0 Si Si19 1 0.62500000 0.74991900 0.62491900 1.0 Si Si20 1 0.00000000 0.00000000 0.00000000 1.0 Si Si21 1 0.75000000 0.25000000 0.50000000 1.0 Si Si22 1 0.75008100 0.87500000 0.37508100 1.0 Si Si23 1 0.25000000 0.75000000 0.50000000 1.0 Si Si24 1 0.99991900 0.37500000 0.12491900 1.0 Si Si25 1 0.62500000 0.24991900 0.12491900 1.0 Si Si26 1 0.12500000 0.50008100 0.87508100 1.0 Si Si27 1 0.49991900 0.37500000 0.62491900 1.0 O O28 1 0.25333200 0.01603600 0.82795200 1.0 O O29 1 0.17537900 0.50333200 0.73729600 1.0 O O30 1 0.76603600 0.43808300 0.26270400 1.0 O O31 1 0.06548200 0.72010600 0.45343500 1.0 O O32 1 0.18451800 0.13795300 0.15462400 1.0 O O33 1 0.35555500 0.41684400 0.62574500 1.0 O O34 1 0.45890100 0.33315600 0.43871100 1.0 O O35 1 0.36204700 0.31548200 0.84537600 1.0 O O36 1 0.16684400 0.04109900 0.56128900 1.0 O O37 1 0.77989400 0.43451800 0.54656500 1.0 O O38 1 0.08315600 0.14444500 0.37425500 1.0 O O39 1 0.47010600 0.51667100 0.15462400 1.0 O O40 1 0.77019000 0.70890100 0.62574500 1.0 O O41 1 0.47981000 0.60555500 0.43871100 1.0 O O42 1 0.88795300 0.23332900 0.45343500 1.0 O O43 1 0.18808300 0.42537900 0.17204800 1.0 O O44 1 0.48396400 0.24666800 0.17204800 1.0 O O45 1 0.99666800 0.32462100 0.26270400 1.0 O O46 1 0.26667100 0.61204700 0.54656500 1.0 O O47 1 0.06191700 0.73396400 0.73729600 1.0 O O48 1 0.89444500 0.02019000 0.56128900 1.0 O O49 1 0.07462100 0.31191700 0.82795200 1.0 O O50 1 0.98332900 0.02989400 0.84537600 1.0 O O51 1 0.79109900 0.72981000 0.37425500 1.0 O O52 1 0.49666800 0.23396400 0.67204800 1.0 O O53 1 0.57462100 0.74666800 0.76270400 1.0 O O54 1 0.98396400 0.81191700 0.23729600 1.0 O O55 1 0.68451800 0.52989400 0.04656500 1.0 O O56 1 0.56548200 0.11204700 0.34537600 1.0 O O57 1 0.39444500 0.83315600 0.87425500 1.0 O O58 1 0.29109900 0.91684400 0.06128900 1.0 O O59 1 0.38795300 0.93451800 0.65462400 1.0 O O60 1 0.58315600 0.20890100 0.93871100 1.0 O O61 1 0.97010600 0.81548200 0.95343500 1.0 O O62 1 0.66684400 0.10555500 0.12574500 1.0 O O63 1 0.27989400 0.73332900 0.34537600 1.0 O O64 1 0.97981000 0.54109900 0.87425500 1.0 O O65 1 0.27019000 0.64444500 0.06128900 1.0 O O66 1 0.86204700 0.01667100 0.04656500 1.0 O O67 1 0.56191700 0.82462100 0.32795200 1.0 O O68 1 0.26603600 0.00333200 0.32795200 1.0 O O69 1 0.75333200 0.92537900 0.23729600 1.0 O O70 1 0.48332900 0.63795300 0.95343500 1.0 O O71 1 0.68808300 0.51603600 0.76270400 1.0 O O72 1 0.85555500 0.22981000 0.93871100 1.0 O O73 1 0.67537900 0.93808300 0.67204800 1.0 O O74 1 0.76667100 0.22010600 0.65462400 1.0 O O75 1 0.95890100 0.52019000 0.12574500 1.0