# generated using pymatgen data_NaSr21(In3Ga4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.24139219 _cell_length_b 12.24139290 _cell_length_c 12.24139144 _cell_angle_alpha 60.00000659 _cell_angle_beta 60.00000469 _cell_angle_gamma 60.00000044 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr21(In3Ga4)2 _chemical_formula_sum 'Na1 Sr21 In6 Ga8' _cell_volume 1297.11199441 _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 Na Na0 1 0.50000000 0.50000000 0.50000000 1.0 Sr Sr1 1 0.86685910 0.86685910 0.39942270 1.0 Sr Sr2 1 0.60057730 0.13314090 0.13314090 1.0 Sr Sr3 1 0.86685910 0.39942270 0.86685910 1.0 Sr Sr4 1 0.13314090 0.13314090 0.13314090 1.0 Sr Sr5 1 0.39942270 0.86685910 0.86685910 1.0 Sr Sr6 1 0.86685910 0.86685910 0.86685910 1.0 Sr Sr7 1 0.16572201 0.83427799 0.50000000 1.0 Sr Sr8 1 0.83427799 0.50000000 0.50000000 1.0 Sr Sr9 1 0.13314090 0.13314090 0.60057730 1.0 Sr Sr10 1 0.83427799 0.16572201 0.50000000 1.0 Sr Sr11 1 0.16572201 0.50000000 0.50000000 1.0 Sr Sr12 1 0.13314090 0.60057730 0.13314090 1.0 Sr Sr13 1 0.50000000 0.50000000 0.16572201 1.0 Sr Sr14 1 0.50000000 0.16572201 0.83427799 1.0 Sr Sr15 1 0.50000000 0.83427799 0.16572201 1.0 Sr Sr16 1 0.50000000 0.50000000 0.83427799 1.0 Sr Sr17 1 0.50000000 0.16572201 0.50000000 1.0 Sr Sr18 1 0.16572201 0.50000000 0.83427799 1.0 Sr Sr19 1 0.00000000 0.00000000 0.00000000 1.0 Sr Sr20 1 0.50000000 0.83427799 0.50000000 1.0 Sr Sr21 1 0.83427799 0.50000000 0.16572201 1.0 In In22 1 0.78282727 0.21717273 0.78282727 1.0 In In23 1 0.78282727 0.21717273 0.21717273 1.0 In In24 1 0.21717273 0.78282727 0.21717273 1.0 In In25 1 0.21717273 0.78282727 0.78282727 1.0 In In26 1 0.78282727 0.78282727 0.21717273 1.0 In In27 1 0.21717273 0.21717273 0.78282727 1.0 Ga Ga28 1 0.69454881 0.91635456 0.69454881 1.0 Ga Ga29 1 0.69454881 0.69454881 0.91635456 1.0 Ga Ga30 1 0.69454881 0.69454881 0.69454881 1.0 Ga Ga31 1 0.30545119 0.08364544 0.30545119 1.0 Ga Ga32 1 0.91635456 0.69454881 0.69454881 1.0 Ga Ga33 1 0.30545119 0.30545119 0.08364544 1.0 Ga Ga34 1 0.08364544 0.30545119 0.30545119 1.0 Ga Ga35 1 0.30545119 0.30545119 0.30545119 1.0