# generated using pymatgen data_Ti2MoC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03533196 _cell_length_b 3.03533221 _cell_length_c 15.21810779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000805 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MoC3 _chemical_formula_sum 'Ti4 Mo2 C6' _cell_volume 121.42375981 _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 Ti Ti0 1 0.33333300 0.66666700 0.41673533 1.0 Ti Ti1 1 0.66666700 0.33333300 0.91673533 1.0 Ti Ti2 1 0.66666700 0.33333300 0.58326467 1.0 Ti Ti3 1 0.33333300 0.66666700 0.08326467 1.0 Mo Mo4 1 0.00000000 0.00000000 0.75000000 1.0 Mo Mo5 1 0.00000000 0.00000000 0.25000000 1.0 C C6 1 0.33333300 0.66666700 0.83422695 1.0 C C7 1 0.66666700 0.33333300 0.33422695 1.0 C C8 1 0.66666700 0.33333300 0.16577305 1.0 C C9 1 0.33333300 0.66666700 0.66577305 1.0 C C10 1 0.00000000 0.00000000 0.50000000 1.0 C C11 1 0.00000000 0.00000000 0.00000000 1.0