# generated using pymatgen data_CaPrOsC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25072981 _cell_length_b 6.43243897 _cell_length_c 10.67361073 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPrOsC2 _chemical_formula_sum 'Ca4 Pr4 Os4 C8' _cell_volume 360.50119155 _cell_formula_units_Z 4 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 0.25000000 0.52820595 0.22960817 1.0 Ca Ca1 1 0.75000000 0.47179405 0.77039183 1.0 Ca Ca2 1 0.75000000 0.97179405 0.72960817 1.0 Ca Ca3 1 0.25000000 0.02820595 0.27039183 1.0 Pr Pr4 1 0.25000000 0.70954820 0.55416542 1.0 Pr Pr5 1 0.75000000 0.29045180 0.44583458 1.0 Pr Pr6 1 0.75000000 0.79045180 0.05416542 1.0 Pr Pr7 1 0.25000000 0.20954820 0.94583458 1.0 Os Os8 1 0.25000000 0.73374044 0.85165517 1.0 Os Os9 1 0.75000000 0.26625956 0.14834483 1.0 Os Os10 1 0.75000000 0.76625956 0.35165517 1.0 Os Os11 1 0.25000000 0.23374044 0.64834483 1.0 C C12 1 0.25000000 0.47701940 0.75428315 1.0 C C13 1 0.75000000 0.52298060 0.24571685 1.0 C C14 1 0.75000000 0.02298060 0.25428315 1.0 C C15 1 0.25000000 0.97701940 0.74571685 1.0 C C16 1 0.25000000 0.78880432 0.02493417 1.0 C C17 1 0.75000000 0.21119568 0.97506583 1.0 C C18 1 0.75000000 0.71119568 0.52493417 1.0 C C19 1 0.25000000 0.28880432 0.47506583 1.0