# generated using pymatgen data_MgTa2CuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86391095 _cell_length_b 5.44840470 _cell_length_c 5.44849900 _cell_angle_alpha 55.55356617 _cell_angle_beta 57.22258411 _cell_angle_gamma 57.22684157 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTa2CuO6 _chemical_formula_sum 'Mg1 Ta2 Cu1 O6' _cell_volume 113.54515378 _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 Mg Mg0 1 0.25001400 0.19462700 0.30547400 1.0 Ta Ta1 1 0.99477700 0.99618500 0.01465300 1.0 Ta Ta2 1 0.50534500 0.48542400 0.50390200 1.0 Cu Cu3 1 0.75034100 0.78656800 0.71333300 1.0 O O4 1 0.18930900 0.82906700 0.31836300 1.0 O O5 1 0.31080300 0.18174300 0.67098700 1.0 O O6 1 0.75014000 0.38670900 0.11338500 1.0 O O7 1 0.25003700 0.59030900 0.90980300 1.0 O O8 1 0.65894100 0.83445900 0.30940400 1.0 O O9 1 0.84109400 0.19070900 0.66569900 1.0