# generated using pymatgen data_Mn3Nb(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75714956 _cell_length_b 8.75714956 _cell_length_c 8.75714999 _cell_angle_alpha 58.31185555 _cell_angle_beta 58.31185555 _cell_angle_gamma 58.31186015 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Nb(PO4)6 _chemical_formula_sum 'Mn3 Nb1 P6 O24' _cell_volume 456.51089442 _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 0.14463900 0.14463900 0.14463900 1.0 Mn Mn1 1 0.35659400 0.35659400 0.35659400 1.0 Mn Mn2 1 0.64457800 0.64457800 0.64457800 1.0 Nb Nb3 1 0.86101900 0.86101900 0.86101900 1.0 P P4 1 0.74956800 0.03689100 0.45797800 1.0 P P5 1 0.03689100 0.45797800 0.74956800 1.0 P P6 1 0.45797800 0.74956800 0.03689100 1.0 P P7 1 0.52336900 0.26403500 0.96769200 1.0 P P8 1 0.96769200 0.52336900 0.26403500 1.0 P P9 1 0.26403500 0.96769200 0.52336900 1.0 O O10 1 0.27926400 0.14219400 0.50737800 1.0 O O11 1 0.50737800 0.27926400 0.14219400 1.0 O O12 1 0.92578000 0.06182200 0.27583700 1.0 O O13 1 0.14219400 0.50737800 0.27926400 1.0 O O14 1 0.57487400 0.22048200 0.43628600 1.0 O O15 1 0.77838700 0.00725400 0.63263000 1.0 O O16 1 0.06182200 0.27583700 0.92578000 1.0 O O17 1 0.22048200 0.43628600 0.57487400 1.0 O O18 1 0.43628600 0.57487400 0.22048200 1.0 O O19 1 0.35540900 0.23200700 0.98911100 1.0 O O20 1 0.70686400 0.08561500 0.94027700 1.0 O O21 1 0.98911100 0.35540900 0.23200700 1.0 O O22 1 0.00725400 0.63263000 0.77838700 1.0 O O23 1 0.27583700 0.92578000 0.06182200 1.0 O O24 1 0.63263000 0.77838700 0.00725400 1.0 O O25 1 0.55046300 0.43521600 0.78387000 1.0 O O26 1 0.78387000 0.55046300 0.43521600 1.0 O O27 1 0.94027700 0.70686400 0.08561500 1.0 O O28 1 0.23200700 0.98911100 0.35540900 1.0 O O29 1 0.43521600 0.78387000 0.55046300 1.0 O O30 1 0.86067100 0.48496000 0.72698800 1.0 O O31 1 0.08561500 0.94027700 0.70686400 1.0 O O32 1 0.48496000 0.72698800 0.86067100 1.0 O O33 1 0.72698800 0.86067100 0.48496000 1.0