# generated using pymatgen data_MgCo4MoP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58363192 _cell_length_b 10.22405595 _cell_length_c 11.71014322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo4MoP3 _chemical_formula_sum 'Mg4 Co16 Mo4 P12' _cell_volume 429.05090367 _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 0.25000000 0.57782069 0.70364674 1.0 Mg Mg1 1 0.25000000 0.92217931 0.20364674 1.0 Mg Mg2 1 0.75000000 0.42217931 0.29635326 1.0 Mg Mg3 1 0.75000000 0.07782069 0.79635326 1.0 Co Co4 1 0.25000000 0.40766641 0.48414062 1.0 Co Co5 1 0.25000000 0.09233359 0.98414062 1.0 Co Co6 1 0.75000000 0.59233359 0.51585938 1.0 Co Co7 1 0.75000000 0.90766641 0.01585938 1.0 Co Co8 1 0.25000000 0.22053216 0.17714385 1.0 Co Co9 1 0.25000000 0.27946884 0.67714385 1.0 Co Co10 1 0.75000000 0.77946884 0.82285615 1.0 Co Co11 1 0.75000000 0.72053116 0.32285615 1.0 Co Co12 1 0.25000000 0.88953255 0.70236561 1.0 Co Co13 1 0.25000000 0.61046745 0.20236561 1.0 Co Co14 1 0.75000000 0.11046745 0.29763439 1.0 Co Co15 1 0.75000000 0.38953255 0.79763439 1.0 Co Co16 1 0.25000000 0.46591211 0.93295261 1.0 Co Co17 1 0.25000000 0.03408789 0.43295261 1.0 Co Co18 1 0.75000000 0.53408789 0.06704739 1.0 Co Co19 1 0.75000000 0.96591211 0.56704739 1.0 Mo Mo20 1 0.25000000 0.70975651 0.98998783 1.0 Mo Mo21 1 0.25000000 0.79024349 0.48998783 1.0 Mo Mo22 1 0.75000000 0.29024349 0.01001217 1.0 Mo Mo23 1 0.75000000 0.20975651 0.51001217 1.0 P P24 1 0.25000000 0.41926572 0.11875378 1.0 P P25 1 0.25000000 0.08073428 0.61875378 1.0 P P26 1 0.75000000 0.58073428 0.88124622 1.0 P P27 1 0.75000000 0.91926572 0.38124622 1.0 P P28 1 0.25000000 0.26424542 0.86152788 1.0 P P29 1 0.25000000 0.23575458 0.36152788 1.0 P P30 1 0.75000000 0.73575458 0.13847212 1.0 P P31 1 0.75000000 0.76424542 0.63847212 1.0 P P32 1 0.25000000 0.59226410 0.38932379 1.0 P P33 1 0.25000000 0.90773590 0.88932379 1.0 P P34 1 0.75000000 0.40773590 0.61067621 1.0 P P35 1 0.75000000 0.09226410 0.11067621 1.0