# generated using pymatgen data_TiMn2V3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66850398 _cell_length_b 8.66850398 _cell_length_c 8.66850402 _cell_angle_alpha 59.81895143 _cell_angle_beta 59.81895143 _cell_angle_gamma 59.81895606 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn2V3(PO4)6 _chemical_formula_sum 'Ti1 Mn2 V3 P6 O24' _cell_volume 458.70035823 _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 Ti Ti0 1 0.85437700 0.85437700 0.85437700 1.0 Mn Mn1 1 0.00061700 0.00061700 0.00061700 1.0 Mn Mn2 1 0.50007000 0.50007000 0.50007000 1.0 V V3 1 0.35603300 0.35603300 0.35603300 1.0 V V4 1 0.14496200 0.14496200 0.14496200 1.0 V V5 1 0.64332500 0.64332500 0.64332500 1.0 P P6 1 0.04157800 0.45725700 0.74986800 1.0 P P7 1 0.45725700 0.74986800 0.04157800 1.0 P P8 1 0.74986800 0.04157800 0.45725700 1.0 P P9 1 0.24978500 0.95828900 0.54238000 1.0 P P10 1 0.54238000 0.24978500 0.95828900 1.0 P P11 1 0.95828900 0.54238100 0.24978500 1.0 O O12 1 0.49455600 0.69443000 0.88118400 1.0 O O13 1 0.69443000 0.88118400 0.49455600 1.0 O O14 1 0.88118400 0.49455600 0.69443000 1.0 O O15 1 0.05856400 0.26564500 0.91583100 1.0 O O16 1 0.99819400 0.62215400 0.80714200 1.0 O O17 1 0.23443800 0.44446400 0.58622100 1.0 O O18 1 0.26564500 0.91583100 0.05856400 1.0 O O19 1 0.44446400 0.58622100 0.23443800 1.0 O O20 1 0.19413200 0.99415700 0.38190800 1.0 O O21 1 0.58622100 0.23443800 0.44446400 1.0 O O22 1 0.08335500 0.94027700 0.73572800 1.0 O O23 1 0.38190800 0.19413200 0.99415700 1.0 O O24 1 0.62215400 0.80714200 0.99819400 1.0 O O25 1 0.91583100 0.05856400 0.26564500 1.0 O O26 1 0.41367600 0.76389800 0.56096400 1.0 O O27 1 0.80714200 0.99819400 0.62215400 1.0 O O28 1 0.56096400 0.41367600 0.76389800 1.0 O O29 1 0.73572800 0.08335500 0.94027700 1.0 O O30 1 0.76389800 0.56096400 0.41367600 1.0 O O31 1 0.99415700 0.38190800 0.19413200 1.0 O O32 1 0.94027700 0.73572800 0.08335500 1.0 O O33 1 0.11834900 0.50727500 0.30491800 1.0 O O34 1 0.30491800 0.11834900 0.50727500 1.0 O O35 1 0.50727500 0.30491800 0.11834900 1.0