# generated using pymatgen data_Ca(Al5Os)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84029938 _cell_length_b 6.84029947 _cell_length_c 9.11648320 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.84234893 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(Al5Os)2 _chemical_formula_sum 'Ca2 Al20 Os4' _cell_volume 423.51941792 _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 0.87388012 0.12611988 0.75000000 1.0 Ca Ca1 1 0.12611988 0.87388012 0.25000000 1.0 Al Al2 1 0.52248063 0.78296724 0.75000000 1.0 Al Al3 1 0.78296724 0.52248063 0.25000000 1.0 Al Al4 1 0.47751937 0.21703276 0.25000000 1.0 Al Al5 1 0.21703276 0.47751937 0.75000000 1.0 Al Al6 1 0.62348001 0.37651999 0.95931835 1.0 Al Al7 1 0.37651999 0.62348001 0.04068165 1.0 Al Al8 1 0.62348001 0.37651999 0.54068165 1.0 Al Al9 1 0.37651999 0.62348001 0.45931835 1.0 Al Al10 1 0.40865381 0.14082842 0.75000000 1.0 Al Al11 1 0.14082842 0.40865381 0.25000000 1.0 Al Al12 1 0.59134619 0.85917158 0.25000000 1.0 Al Al13 1 0.85917158 0.59134619 0.75000000 1.0 Al Al14 1 0.84414673 0.15585327 0.40039275 1.0 Al Al15 1 0.15585327 0.84414673 0.59960725 1.0 Al Al16 1 0.84414673 0.15585327 0.09960725 1.0 Al Al17 1 0.15585327 0.84414673 0.90039275 1.0 Al Al18 1 0.77507352 0.77507352 0.00000000 1.0 Al Al19 1 0.77507352 0.77507352 0.50000000 1.0 Al Al20 1 0.22492648 0.22492648 0.00000000 1.0 Al Al21 1 0.22492648 0.22492648 0.50000000 1.0 Os Os22 1 0.50000000 0.00000000 0.00000000 1.0 Os Os23 1 0.00000000 0.50000000 0.00000000 1.0 Os Os24 1 0.50000000 0.00000000 0.50000000 1.0 Os Os25 1 0.00000000 0.50000000 0.50000000 1.0