# generated using pymatgen data_Ca3Ga2SnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91399491 _cell_length_b 8.11619915 _cell_length_c 15.05765411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ga2SnIr2 _chemical_formula_sum 'Ca12 Ga8 Sn4 Ir8' _cell_volume 722.75475615 _cell_formula_units_Z 4 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 0.89003318 0.45318962 0.10331530 1.0 Ca Ca1 1 0.39003318 0.04681038 0.89668470 1.0 Ca Ca2 1 0.60996682 0.95318962 0.39668470 1.0 Ca Ca3 1 0.10996682 0.54681038 0.60331530 1.0 Ca Ca4 1 0.10996682 0.54681038 0.89668470 1.0 Ca Ca5 1 0.60996682 0.95318962 0.10331530 1.0 Ca Ca6 1 0.39003318 0.04681038 0.60331530 1.0 Ca Ca7 1 0.89003318 0.45318962 0.39668470 1.0 Ca Ca8 1 0.37196722 0.29765804 0.25000000 1.0 Ca Ca9 1 0.87196722 0.20234196 0.75000000 1.0 Ca Ca10 1 0.12803278 0.79765804 0.25000000 1.0 Ca Ca11 1 0.62803278 0.70234196 0.75000000 1.0 Ga Ga12 1 0.37976510 0.32601752 0.03987828 1.0 Ga Ga13 1 0.87976510 0.17398248 0.96012172 1.0 Ga Ga14 1 0.12023490 0.82601752 0.46012172 1.0 Ga Ga15 1 0.62023490 0.67398248 0.53987828 1.0 Ga Ga16 1 0.62023490 0.67398248 0.96012172 1.0 Ga Ga17 1 0.12023490 0.82601752 0.03987828 1.0 Ga Ga18 1 0.87976510 0.17398248 0.53987828 1.0 Ga Ga19 1 0.37976510 0.32601752 0.46012172 1.0 Sn Sn20 1 0.89435956 0.14652525 0.25000000 1.0 Sn Sn21 1 0.39435956 0.35347475 0.75000000 1.0 Sn Sn22 1 0.60564044 0.64652525 0.25000000 1.0 Sn Sn23 1 0.10564044 0.85347475 0.75000000 1.0 Ir Ir24 1 0.11855688 0.11330882 0.09373387 1.0 Ir Ir25 1 0.61855688 0.38669118 0.90626613 1.0 Ir Ir26 1 0.38144312 0.61330882 0.40626613 1.0 Ir Ir27 1 0.88144312 0.88669118 0.59373387 1.0 Ir Ir28 1 0.88144312 0.88669118 0.90626613 1.0 Ir Ir29 1 0.38144312 0.61330882 0.09373387 1.0 Ir Ir30 1 0.61855688 0.38669118 0.59373387 1.0 Ir Ir31 1 0.11855688 0.11330882 0.40626613 1.0