# generated using pymatgen data_Cr3AsC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33759638 _cell_length_b 5.33759638 _cell_length_c 7.46558300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.59899210 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3AsC _chemical_formula_sum 'Cr6 As2 C2' _cell_volume 113.97029004 _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 Cr Cr0 1 0.62298900 0.37701100 0.44808800 1.0 Cr Cr1 1 0.37701100 0.62298900 0.55191200 1.0 Cr Cr2 1 0.62298900 0.37701100 0.05191200 1.0 Cr Cr3 1 0.37701100 0.62298900 0.94808800 1.0 Cr Cr4 1 0.96099500 0.03900500 0.25000000 1.0 Cr Cr5 1 0.03900500 0.96099500 0.75000000 1.0 As As6 1 0.26232000 0.73768000 0.25000000 1.0 As As7 1 0.73768000 0.26232000 0.75000000 1.0 C C8 1 0.00000000 0.00000000 0.50000000 1.0 C C9 1 0.00000000 0.00000000 0.00000000 1.0