# generated using pymatgen data_Ti3MnCr2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67600839 _cell_length_b 8.67600839 _cell_length_c 8.67600876 _cell_angle_alpha 60.09288234 _cell_angle_beta 60.09288234 _cell_angle_gamma 60.09288294 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3MnCr2(PO4)6 _chemical_formula_sum 'Ti3 Mn1 Cr2 P6 O24' _cell_volume 462.76231443 _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 0.85426600 0.85426600 0.85426600 1.0 Ti Ti1 1 0.64571600 0.64571600 0.64571600 1.0 Ti Ti2 1 0.35336700 0.35336700 0.35336700 1.0 Mn Mn3 1 0.14621900 0.14621900 0.14621900 1.0 Cr Cr4 1 0.00135100 0.00135100 0.00135100 1.0 Cr Cr5 1 0.50111100 0.50111100 0.50111100 1.0 P P6 1 0.54851000 0.95390000 0.24826800 1.0 P P7 1 0.24826800 0.54851000 0.95390000 1.0 P P8 1 0.04278800 0.74626100 0.45712200 1.0 P P9 1 0.74626100 0.45712200 0.04278800 1.0 P P10 1 0.45712200 0.04278800 0.74626100 1.0 P P11 1 0.95390000 0.24826800 0.54851000 1.0 O O12 1 0.51384100 0.88345800 0.67658500 1.0 O O13 1 0.88345800 0.67658500 0.51384100 1.0 O O14 1 0.74550100 0.94069900 0.08611000 1.0 O O15 1 0.67658500 0.51384100 0.88345800 1.0 O O16 1 0.40003400 0.98005500 0.18911300 1.0 O O17 1 0.57332100 0.76243300 0.41464900 1.0 O O18 1 0.08611000 0.74550100 0.94069900 1.0 O O19 1 0.41464900 0.57332100 0.76243300 1.0 O O20 1 0.99789400 0.80887900 0.62003700 1.0 O O21 1 0.76243300 0.41464900 0.57332100 1.0 O O22 1 0.04993200 0.90291800 0.26561700 1.0 O O23 1 0.80887900 0.62003700 0.99789400 1.0 O O24 1 0.18911300 0.40003400 0.98005500 1.0 O O25 1 0.94069900 0.08611000 0.74550100 1.0 O O26 1 0.23493600 0.58198600 0.44606900 1.0 O O27 1 0.98005500 0.18911300 0.40003400 1.0 O O28 1 0.58198600 0.44606900 0.23493600 1.0 O O29 1 0.90291800 0.26561700 0.04993200 1.0 O O30 1 0.44606900 0.23493600 0.58198600 1.0 O O31 1 0.62003700 0.99789400 0.80887900 1.0 O O32 1 0.30577700 0.49932500 0.12195400 1.0 O O33 1 0.26561700 0.04993200 0.90291800 1.0 O O34 1 0.12195400 0.30577700 0.49932500 1.0 O O35 1 0.49932500 0.12195400 0.30577700 1.0