# generated using pymatgen data_Ca4GaSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00978925 _cell_length_b 4.50925998 _cell_length_c 10.81090141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4GaSi3 _chemical_formula_sum 'Ca4 Ga1 Si3' _cell_volume 195.47387807 _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 Ca Ca0 1 -0.00000000 -0.00000000 0.36392359 1.0 Ca Ca1 1 -0.00000000 0.50000000 0.85915965 1.0 Ca Ca2 1 0.50000000 0.50000000 0.13958888 1.0 Ca Ca3 1 0.50000000 -0.00000000 0.63875489 1.0 Ga Ga4 1 0.00000000 0.00000000 0.06847384 1.0 Si Si5 1 -0.00000000 0.50000000 0.56657809 1.0 Si Si6 1 0.50000000 0.50000000 0.43462635 1.0 Si Si7 1 0.50000000 0.00000000 0.92889571 1.0