# generated using pymatgen data_Ti7B4Mo3P2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05673014 _cell_length_b 7.03616828 _cell_length_c 7.05229009 _cell_angle_alpha 129.53475532 _cell_angle_beta 129.61330253 _cell_angle_gamma 74.02574900 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti7B4Mo3P2 _chemical_formula_sum 'Ti7 B4 Mo3 P2' _cell_volume 202.95101954 _cell_formula_units_Z 1 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 0.80871295 0.96320930 0.50000000 1.0 Ti Ti1 1 0.31097145 0.81003746 0.84941155 1.0 Ti Ti2 1 0.19069743 0.03778696 0.50000000 1.0 Ti Ti3 1 0.53544167 0.68812889 0.50000000 1.0 Ti Ti4 1 0.03826845 0.53928139 0.84778437 1.0 Ti Ti5 1 0.69048409 0.19149703 0.15221563 1.0 Ti Ti6 1 0.96155990 0.46062591 0.15058845 1.0 B B7 1 0.39001894 0.88926147 0.28025362 1.0 B B8 1 0.89051035 0.61134869 0.50000000 1.0 B B9 1 0.60976633 0.10900885 0.71974638 1.0 B B10 1 0.11061495 0.38939900 0.50000000 1.0 Mo Mo11 1 0.00088822 0.00043639 0.00034511 1.0 Mo Mo12 1 0.50054311 0.50009028 0.99965489 1.0 Mo Mo13 1 0.46174088 0.30828340 0.50000000 1.0 P P14 1 0.75006605 0.75097739 0.00034981 1.0 P P15 1 0.24971624 0.25062758 0.99965019 1.0