# generated using pymatgen data_Mn3CrNi2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43377652 _cell_length_b 8.43377652 _cell_length_c 8.43377641 _cell_angle_alpha 60.73739631 _cell_angle_beta 60.73739631 _cell_angle_gamma 60.73739675 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3CrNi2(PO4)6 _chemical_formula_sum 'Mn3 Cr1 Ni2 P6 O24' _cell_volume 431.23901440 _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 Mn Mn0 1 0.14173900 0.14173900 0.14173900 1.0 Mn Mn1 1 0.35844400 0.35844400 0.35844400 1.0 Mn Mn2 1 0.64202700 0.64202700 0.64202700 1.0 Cr Cr3 1 0.85960200 0.85960200 0.85960200 1.0 Ni Ni4 1 0.99985900 0.99985900 0.99985900 1.0 Ni Ni5 1 0.50058500 0.50058500 0.50058500 1.0 P P6 1 0.45700000 0.74964900 0.04213100 1.0 P P7 1 0.74964900 0.04213100 0.45700000 1.0 P P8 1 0.04213100 0.45700000 0.74964900 1.0 P P9 1 0.96016500 0.54133800 0.25021400 1.0 P P10 1 0.25021400 0.96016500 0.54133800 1.0 P P11 1 0.54133800 0.25021400 0.96016500 1.0 O O12 1 0.50422000 0.31451700 0.11995800 1.0 O O13 1 0.11995800 0.50422000 0.31451700 1.0 O O14 1 0.25543400 0.90988100 0.06037100 1.0 O O15 1 0.31451700 0.11995800 0.50422000 1.0 O O16 1 0.61390800 0.81163300 0.00937400 1.0 O O17 1 0.44404200 0.58310900 0.24290700 1.0 O O18 1 0.90988100 0.06037100 0.25543400 1.0 O O19 1 0.58310900 0.24290700 0.44404200 1.0 O O20 1 0.99098700 0.38291200 0.18925600 1.0 O O21 1 0.24290700 0.44404200 0.58310900 1.0 O O22 1 0.94561500 0.74092000 0.08953800 1.0 O O23 1 0.18925600 0.99098700 0.38291200 1.0 O O24 1 0.81163300 0.00937400 0.61390800 1.0 O O25 1 0.06037100 0.25543400 0.90988100 1.0 O O26 1 0.76003000 0.55450500 0.41378200 1.0 O O27 1 0.00937400 0.61390800 0.81163300 1.0 O O28 1 0.41378200 0.76003000 0.55450500 1.0 O O29 1 0.08953800 0.94561500 0.74092000 1.0 O O30 1 0.55450500 0.41378200 0.76003000 1.0 O O31 1 0.38291200 0.18925600 0.99098700 1.0 O O32 1 0.68926800 0.88332800 0.48775600 1.0 O O33 1 0.74092000 0.08953800 0.94561500 1.0 O O34 1 0.88332800 0.48775600 0.68926800 1.0 O O35 1 0.48775600 0.68926800 0.88332800 1.0