# generated using pymatgen data_PmCu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15632240 _cell_length_b 6.15632428 _cell_length_c 4.25915838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99452573 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmCu3 _chemical_formula_sum 'Pm2 Cu6' _cell_volume 139.80452193 _cell_formula_units_Z 2 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 Pm Pm0 1 0.33333297 0.66666803 0.75000000 1.0 Pm Pm1 1 0.66666703 0.33333197 0.25000000 1.0 Cu Cu2 1 0.86698422 0.13301578 0.75000000 1.0 Cu Cu3 1 0.26604493 0.13303096 0.75000000 1.0 Cu Cu4 1 0.86696804 0.73395607 0.75000000 1.0 Cu Cu5 1 0.13301678 0.86698322 0.25000000 1.0 Cu Cu6 1 0.73395607 0.86697104 0.25000000 1.0 Cu Cu7 1 0.13302896 0.26604193 0.25000000 1.0