# generated using pymatgen data_Ti4B2MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02035156 _cell_length_b 6.02035140 _cell_length_c 7.07495608 _cell_angle_alpha 115.18035874 _cell_angle_beta 115.18036225 _cell_angle_gamma 89.99999303 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4B2MoP _chemical_formula_sum 'Ti8 B4 Mo2 P2' _cell_volume 204.81486818 _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 0.04052481 0.54052481 0.73110592 1.0 Ti Ti1 1 0.69058012 0.19058012 0.73110592 1.0 Ti Ti2 1 0.19058012 0.04052481 0.73110592 1.0 Ti Ti3 1 0.54052481 0.69058012 0.73110592 1.0 Ti Ti4 1 0.95947519 0.45947519 0.26889408 1.0 Ti Ti5 1 0.30941988 0.80941988 0.26889408 1.0 Ti Ti6 1 0.80941988 0.95947519 0.26889408 1.0 Ti Ti7 1 0.45947519 0.30941988 0.26889408 1.0 B B8 1 0.39084222 0.89084222 1.00000000 1.0 B B9 1 0.60915778 0.10915778 0.00000000 1.0 B B10 1 0.10915778 0.39084222 1.00000000 1.0 B B11 1 0.89084222 0.60915778 0.00000000 1.0 Mo Mo12 1 0.50000000 0.50000000 0.00000000 1.0 Mo Mo13 1 0.00000000 0.00000000 0.00000000 1.0 P P14 1 0.25000000 0.25000000 0.50000000 1.0 P P15 1 0.75000000 0.75000000 0.50000000 1.0