# generated using pymatgen data_Ca5Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61543801 _cell_length_b 8.61543801 _cell_length_c 8.61543801 _cell_angle_alpha 96.86450817 _cell_angle_beta 96.86450817 _cell_angle_gamma 139.54857533 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Pt3 _chemical_formula_sum 'Ca10 Pt6' _cell_volume 389.31785480 _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 0.71101248 0.58305866 0.29407114 1.0 Ca Ca1 1 0.28898752 0.41694134 0.70592886 1.0 Ca Ca2 1 0.78898752 0.08305866 0.87204618 1.0 Ca Ca3 1 0.21101248 0.91694134 0.12795382 1.0 Ca Ca4 1 0.58305866 0.28898752 0.87204618 1.0 Ca Ca5 1 0.41694134 0.71101248 0.12795382 1.0 Ca Ca6 1 0.08305866 0.21101248 0.29407114 1.0 Ca Ca7 1 0.91694134 0.78898752 0.70592886 1.0 Ca Ca8 1 0.75000000 0.25000000 0.50000000 1.0 Ca Ca9 1 0.25000000 0.75000000 0.50000000 1.0 Pt Pt10 1 0.15551445 0.65551445 0.81102890 1.0 Pt Pt11 1 0.84448555 0.34448555 0.18897110 1.0 Pt Pt12 1 0.34448555 0.15551445 0.50000000 1.0 Pt Pt13 1 0.65551445 0.84448555 0.50000000 1.0 Pt Pt14 1 0.25000000 0.25000000 0.00000000 1.0 Pt Pt15 1 0.75000000 0.75000000 -0.00000000 1.0