# generated using pymatgen data_MnCu(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49645330 _cell_length_b 8.49645330 _cell_length_c 8.49645315 _cell_angle_alpha 60.15878163 _cell_angle_beta 60.15878163 _cell_angle_gamma 60.15877788 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCu(PO4)2 _chemical_formula_sum 'Mn3 Cu3 P6 O24' _cell_volume 435.26834271 _cell_formula_units_Z 3 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 0.35800100 0.35800100 0.35800100 1.0 Mn Mn1 1 0.14180200 0.14180200 0.14180200 1.0 Mn Mn2 1 0.64212600 0.64212600 0.64212600 1.0 Cu Cu3 1 0.99805800 0.99805800 0.99805800 1.0 Cu Cu4 1 0.85650000 0.85650000 0.85650000 1.0 Cu Cu5 1 0.49957300 0.49957300 0.49957300 1.0 P P6 1 0.45892500 0.75041000 0.04054600 1.0 P P7 1 0.75041000 0.04054600 0.45892500 1.0 P P8 1 0.04054600 0.45892500 0.75041000 1.0 P P9 1 0.96022300 0.54136700 0.24959400 1.0 P P10 1 0.24959400 0.96022300 0.54136700 1.0 P P11 1 0.54136700 0.24959400 0.96022300 1.0 O O12 1 0.69268600 0.87971100 0.49212900 1.0 O O13 1 0.87971100 0.49212900 0.69268600 1.0 O O14 1 0.49212900 0.69268600 0.87971100 1.0 O O15 1 0.25824600 0.91537600 0.05555300 1.0 O O16 1 0.61477200 0.80621100 0.01826000 1.0 O O17 1 0.43986900 0.58236700 0.24043300 1.0 O O18 1 0.91537600 0.05555300 0.25824600 1.0 O O19 1 0.58236700 0.24043300 0.43986900 1.0 O O20 1 0.99089600 0.38239600 0.19088700 1.0 O O21 1 0.24043300 0.43986900 0.58236700 1.0 O O22 1 0.94714400 0.73932700 0.08530900 1.0 O O23 1 0.19088700 0.99089600 0.38239600 1.0 O O24 1 0.80621100 0.01826000 0.61477200 1.0 O O25 1 0.05555300 0.25824600 0.91537600 1.0 O O26 1 0.76224600 0.55330600 0.41884800 1.0 O O27 1 0.01826000 0.61477200 0.80621100 1.0 O O28 1 0.41884800 0.76224600 0.55330600 1.0 O O29 1 0.08530900 0.94714400 0.73932700 1.0 O O30 1 0.55330600 0.41884800 0.76224600 1.0 O O31 1 0.38239600 0.19088700 0.99089600 1.0 O O32 1 0.73932700 0.08530900 0.94714400 1.0 O O33 1 0.50614700 0.30994300 0.12076900 1.0 O O34 1 0.12076900 0.50614700 0.30994300 1.0 O O35 1 0.30994300 0.12076900 0.50614700 1.0