# generated using pymatgen data_CaGaNi3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19784915 _cell_length_b 5.19784908 _cell_length_c 6.61528055 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000049 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaNi3B _chemical_formula_sum 'Ca2 Ga2 Ni6 B2' _cell_volume 154.78405980 _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 Ca Ca0 1 0.00000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga2 1 0.33333300 0.66666700 0.50000000 1.0 Ga Ga3 1 0.66666700 0.33333300 0.50000000 1.0 Ni Ni4 1 0.50000000 0.50000000 0.79960402 1.0 Ni Ni5 1 0.00000000 0.50000000 0.79960402 1.0 Ni Ni6 1 0.50000000 0.00000000 0.79960402 1.0 Ni Ni7 1 0.00000000 0.50000000 0.20039598 1.0 Ni Ni8 1 0.50000000 0.50000000 0.20039598 1.0 Ni Ni9 1 0.50000000 0.00000000 0.20039598 1.0 B B10 1 0.66666700 0.33333300 0.00000000 1.0 B B11 1 0.33333300 0.66666700 0.00000000 1.0