# generated using pymatgen data_Ti4GaSiH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08769006 _cell_length_b 5.08768988 _cell_length_c 5.08769001 _cell_angle_alpha 104.51060497 _cell_angle_beta 104.51061619 _cell_angle_gamma 119.92602812 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4GaSiH2 _chemical_formula_sum 'Ti4 Ga1 Si1 H2' _cell_volume 98.80624978 _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 0.15970939 0.65970939 0.81941979 1.0 Ti Ti1 1 0.84029061 0.34029061 0.18058021 1.0 Ti Ti2 1 0.34029061 0.15970939 0.50000000 1.0 Ti Ti3 1 0.65970939 0.84029061 0.50000000 1.0 Ga Ga4 1 0.25000000 0.25000000 0.00000000 1.0 Si Si5 1 0.75000000 0.75000000 0.00000000 1.0 H H6 1 0.75000000 0.25000000 0.50000000 1.0 H H7 1 0.25000000 0.75000000 0.50000000 1.0