# generated using pymatgen data_Ti2(Co7B2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39965750 _cell_length_b 7.39965750 _cell_length_c 7.39965750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2(Co7B2)3 _chemical_formula_sum 'Ti2 Co21 B6' _cell_volume 286.49685468 _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 0.75000000 0.75000000 0.75000000 1.0 Ti Ti1 1 0.25000000 0.25000000 0.25000000 1.0 Co Co2 1 0.00000000 0.00000000 0.00000000 1.0 Co Co3 1 0.61790500 0.61790500 0.14628400 1.0 Co Co4 1 0.61790500 0.14628400 0.61790500 1.0 Co Co5 1 0.14628400 0.61790500 0.61790500 1.0 Co Co6 1 0.61790500 0.61790500 0.61790500 1.0 Co Co7 1 0.38209500 0.38209500 0.85371600 1.0 Co Co8 1 0.38209500 0.85371600 0.38209500 1.0 Co Co9 1 0.85371600 0.38209500 0.38209500 1.0 Co Co10 1 0.38209500 0.38209500 0.38209500 1.0 Co Co11 1 0.00000000 0.00000000 0.33816100 1.0 Co Co12 1 0.66183900 0.00000000 0.33816100 1.0 Co Co13 1 0.00000000 0.66183900 0.33816100 1.0 Co Co14 1 0.66183900 0.33816100 0.00000000 1.0 Co Co15 1 0.00000000 0.33816100 0.00000000 1.0 Co Co16 1 0.00000000 0.33816100 0.66183900 1.0 Co Co17 1 0.33816100 0.66183900 0.00000000 1.0 Co Co18 1 0.33816100 0.00000000 0.66183900 1.0 Co Co19 1 0.33816100 0.00000000 0.00000000 1.0 Co Co20 1 0.00000000 0.00000000 0.66183900 1.0 Co Co21 1 0.00000000 0.66183900 0.00000000 1.0 Co Co22 1 0.66183900 0.00000000 0.00000000 1.0 B B23 1 0.72481900 0.72481900 0.27518100 1.0 B B24 1 0.27518100 0.72481900 0.27518100 1.0 B B25 1 0.72481900 0.27518100 0.27518100 1.0 B B26 1 0.27518100 0.27518100 0.72481900 1.0 B B27 1 0.72481900 0.27518100 0.72481900 1.0 B B28 1 0.27518100 0.72481900 0.72481900 1.0