# generated using pymatgen data_Ca2ZnPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55911994 _cell_length_b 5.55912023 _cell_length_c 8.31609523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999241 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnPt3 _chemical_formula_sum 'Ca4 Zn2 Pt6' _cell_volume 222.56774719 _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 0.33333300 0.66666700 0.06363455 1.0 Ca Ca1 1 0.66666700 0.33333300 0.56363455 1.0 Ca Ca2 1 0.66666700 0.33333300 0.93636545 1.0 Ca Ca3 1 0.33333300 0.66666700 0.43636545 1.0 Zn Zn4 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn5 1 0.00000000 0.00000000 0.50000000 1.0 Pt Pt6 1 0.83213312 0.66426724 0.25000000 1.0 Pt Pt7 1 0.16786688 0.83213312 0.75000000 1.0 Pt Pt8 1 0.66426724 0.83213312 0.75000000 1.0 Pt Pt9 1 0.33573276 0.16786688 0.25000000 1.0 Pt Pt10 1 0.83213312 0.16786688 0.25000000 1.0 Pt Pt11 1 0.16786688 0.33573276 0.75000000 1.0