# generated using pymatgen data_CaNdOsC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23414246 _cell_length_b 6.43065219 _cell_length_c 10.56943286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNdOsC2 _chemical_formula_sum 'Ca4 Nd4 Os4 C8' _cell_volume 355.75600897 _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 0.47038937 0.77197793 1.0 Ca Ca1 1 0.75000000 0.02961063 0.27197793 1.0 Ca Ca2 1 0.25000000 0.97038937 0.72802207 1.0 Ca Ca3 1 0.75000000 0.52961063 0.22802207 1.0 Nd Nd4 1 0.25000000 0.79585748 0.05495976 1.0 Nd Nd5 1 0.75000000 0.70414252 0.55495976 1.0 Nd Nd6 1 0.25000000 0.29585748 0.44504024 1.0 Nd Nd7 1 0.75000000 0.20414252 0.94504024 1.0 Os Os8 1 0.25000000 0.26788008 0.14710985 1.0 Os Os9 1 0.75000000 0.23211992 0.64710985 1.0 Os Os10 1 0.25000000 0.76788008 0.35289015 1.0 Os Os11 1 0.75000000 0.73211992 0.85289015 1.0 C C12 1 0.25000000 0.70571625 0.52696161 1.0 C C13 1 0.75000000 0.79428375 0.02696161 1.0 C C14 1 0.25000000 0.20571625 0.97303839 1.0 C C15 1 0.75000000 0.29428375 0.47303839 1.0 C C16 1 0.25000000 0.02583494 0.25504685 1.0 C C17 1 0.75000000 0.47416506 0.75504685 1.0 C C18 1 0.25000000 0.52583494 0.24495315 1.0 C C19 1 0.75000000 0.97416506 0.74495315 1.0