# generated using pymatgen data_Ca3Pr(OsC2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21327539 _cell_length_b 6.48687349 _cell_length_c 10.53669420 _cell_angle_alpha 90.14939510 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Pr(OsC2)2 _chemical_formula_sum 'Ca6 Pr2 Os4 C8' _cell_volume 356.32721590 _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 Ca Ca0 1 0.75000000 0.80491175 0.05064150 1.0 Ca Ca1 1 0.25000000 0.19508825 0.94935850 1.0 Ca Ca2 1 0.25000000 0.53672989 0.21136812 1.0 Ca Ca3 1 0.75000000 0.46327011 0.78863188 1.0 Ca Ca4 1 0.75000000 0.96980128 0.73521741 1.0 Ca Ca5 1 0.25000000 0.03019872 0.26478259 1.0 Pr Pr6 1 0.25000000 0.70194232 0.55293294 1.0 Pr Pr7 1 0.75000000 0.29805768 0.44706706 1.0 Os Os8 1 0.25000000 0.73274713 0.85513268 1.0 Os Os9 1 0.75000000 0.26725287 0.14486732 1.0 Os Os10 1 0.75000000 0.76900814 0.34484016 1.0 Os Os11 1 0.25000000 0.23099186 0.65515984 1.0 C C12 1 0.25000000 0.47335410 0.75862592 1.0 C C13 1 0.75000000 0.52664590 0.24137408 1.0 C C14 1 0.75000000 0.03051579 0.25498051 1.0 C C15 1 0.25000000 0.96948421 0.74501949 1.0 C C16 1 0.25000000 0.79280037 0.02572906 1.0 C C17 1 0.75000000 0.20719963 0.97427094 1.0 C C18 1 0.75000000 0.71181543 0.51905043 1.0 C C19 1 0.25000000 0.28818457 0.48094957 1.0