# generated using pymatgen data_V3Cr2Cu(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47476523 _cell_length_b 8.47476523 _cell_length_c 8.47476589 _cell_angle_alpha 61.38964583 _cell_angle_beta 61.38964583 _cell_angle_gamma 61.38964721 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Cr2Cu(PO4)6 _chemical_formula_sum 'V3 Cr2 Cu1 P6 O24' _cell_volume 443.83195155 _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 V V0 1 0.35513500 0.35513500 0.35513500 1.0 V V1 1 0.14227200 0.14227200 0.14227200 1.0 V V2 1 0.64414700 0.64414700 0.64414700 1.0 Cr Cr3 1 0.99780800 0.99780800 0.99780800 1.0 Cr Cr4 1 0.49979700 0.49979700 0.49979700 1.0 Cu Cu5 1 0.85248100 0.85248100 0.85248100 1.0 P P6 1 0.75145600 0.04536000 0.45318600 1.0 P P7 1 0.04536000 0.45318600 0.75145600 1.0 P P8 1 0.45318600 0.75145600 0.04536000 1.0 P P9 1 0.54717400 0.24967400 0.95603200 1.0 P P10 1 0.95603200 0.54717400 0.24967400 1.0 P P11 1 0.24967400 0.95603200 0.54717400 1.0 O O12 1 0.88357100 0.49761200 0.68428300 1.0 O O13 1 0.49761200 0.68428300 0.88357100 1.0 O O14 1 0.68428300 0.88357100 0.49761200 1.0 O O15 1 0.90645200 0.05731400 0.24946400 1.0 O O16 1 0.81876700 0.01936300 0.60079700 1.0 O O17 1 0.58863700 0.24539600 0.43035700 1.0 O O18 1 0.05731400 0.24946400 0.90645200 1.0 O O19 1 0.24539600 0.43035700 0.58863700 1.0 O O20 1 0.38964900 0.18502900 0.99227400 1.0 O O21 1 0.43035700 0.58863700 0.24539600 1.0 O O22 1 0.74480400 0.09671300 0.94960700 1.0 O O23 1 0.99227400 0.38964900 0.18502900 1.0 O O24 1 0.01936300 0.60079700 0.81876700 1.0 O O25 1 0.24946400 0.90645200 0.05731400 1.0 O O26 1 0.56248300 0.41100700 0.75608700 1.0 O O27 1 0.60079700 0.81876700 0.01936300 1.0 O O28 1 0.75608700 0.56248300 0.41100700 1.0 O O29 1 0.94960700 0.74480400 0.09671300 1.0 O O30 1 0.41100700 0.75608700 0.56248300 1.0 O O31 1 0.18502900 0.99227400 0.38964900 1.0 O O32 1 0.09671300 0.94960700 0.74480400 1.0 O O33 1 0.32875000 0.11167600 0.49537100 1.0 O O34 1 0.49537100 0.32875000 0.11167600 1.0 O O35 1 0.11167600 0.49537100 0.32875000 1.0