# generated using pymatgen data_CaSc(Cu2P)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15222379 _cell_length_b 7.15222379 _cell_length_c 3.75707390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 88.94906070 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSc(Cu2P)4 _chemical_formula_sum 'Ca1 Sc1 Cu8 P4' _cell_volume 192.15817509 _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 Ca Ca0 1 0.50000000 0.50000000 0.50000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.66695312 0.91647144 0.50000000 1.0 Cu Cu3 1 0.16178315 0.58571850 0.00000000 1.0 Cu Cu4 1 0.41428150 0.83821685 0.00000000 1.0 Cu Cu5 1 0.91647144 0.66695312 0.50000000 1.0 Cu Cu6 1 0.83821685 0.41428150 0.00000000 1.0 Cu Cu7 1 0.58571850 0.16178315 0.00000000 1.0 Cu Cu8 1 0.08352856 0.33304688 0.50000000 1.0 Cu Cu9 1 0.33304688 0.08352856 0.50000000 1.0 P P10 1 0.27686600 0.27686600 0.00000000 1.0 P P11 1 0.72313400 0.72313400 0.00000000 1.0 P P12 1 0.79241050 0.20758950 0.50000000 1.0 P P13 1 0.20758950 0.79241050 0.50000000 1.0